Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T58921 | Target Info | |||
| Target Name | Peroxisome proliferator-activated receptor gamma (PPAR-gamma) | ||||
| Synonyms | PPAR-gamma; Nuclear receptor subfamily 1 group C member 3; NR1C3 | ||||
| Target Type | Successful Target | ||||
| Gene Name | PPARG | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Indomethacin | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with indomethacin and nitro-233 | PDB:3ADX | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
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ALA278
4.525
ILE281
3.493
PHE282
3.093
CYS285
3.632
GLN286
3.984
SER289
3.015
HIS323
2.880
ILE326
3.351
TYR327
3.109
LEU330
3.923
LEU353
3.662
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Glutathione | Ligand Info | |||||
| Structure Description | Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with glutathion conjugated 15-deoxy-delta12,14-prostaglandin J2 | PDB:2ZK2 | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [2] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
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LEU228
4.365
PHE264
3.738
ILE267
3.833
THR268
4.497
ARG280
3.628
ILE281
3.078
PHE282
4.922
GLN283
4.767
GLY284
2.935
CYS285
3.473
ARG288
2.887
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| Ligand Name: Telmisartan | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma complexed with Telmisartan | PDB:3VN2 | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [3] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIQSKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TLS or .TLS2 or .TLS3 or :3TLS;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:322 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ALA278
4.626
ILE281
4.031
PHE282
2.240
CYS285
3.313
GLN286
3.794
ARG288
3.131
SER289
3.047
VAL322
4.649
HIS323
2.463
ILE326
3.737
TYR327
3.479
LEU330
3.484
VAL339
3.890
LEU340
4.805
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| Ligand Name: Imatinib | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain R288A mutant in complex with imatinib | PDB:6KTN | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | Yes | [4] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 HKEVAIRIFQ283 GCQFASVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY 473 KDLY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .STI or .STI2 or .STI3 or :3STI;style chemicals stick;color identity;select .A:222 or .A:226 or .A:227 or .A:228 or .A:229 or .A:230 or .A:255 or .A:259 or .A:262 or .A:263 or .A:264 or .A:265 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:295 or .A:326 or .A:329 or .A:330 or .A:332 or .A:333 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR222
4.495
PHE226
4.054
PRO227
4.500
LEU228
2.659
THR229
3.818
LYS230
3.774
LEU255
3.984
GLU259
3.570
ILE262
3.327
LYS263
3.549
PHE264
4.840
LYS265
3.686
ARG280
4.205
ILE281
4.207
GLY284
3.600
CYS285
3.315
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| Ligand Name: Saroglitazar | Ligand Info | |||||
| Structure Description | X-ray structure of human PPARgamma ligand binding domain-saroglitazar co-crystals obtained by co-crystallization | PDB:7E0A | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [5] |
| PDB Sequence |
DQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEDK 261 IKFKHKEVAI279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK 319 YGVHEIIYTM329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE 369 FAVKFNALEL379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL 419 QLKLNHPESS429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL 469 QEIYKDL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EWR or .EWR2 or .EWR3 or :3EWR;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:264 or .A:266 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE249
4.314
LEU255
3.534
GLU259
3.791
PHE264
2.856
HIS266
3.674
ARG280
4.203
ILE281
2.989
PHE282
2.929
GLY284
3.340
CYS285
3.055
GLN286
3.027
ARG288
3.044
SER289
2.616
HIS323
2.747
ILE326
3.581
TYR327
2.719
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| Ligand Name: Bezafibrate | Ligand Info | |||||
| Structure Description | X-ray structure of human PPAR gamma ligand binding domain-bezafibrate co-rystals obtained by co-crystallization | PDB:7WGO | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [6] |
| PDB Sequence |
MQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEDK 261 IKFKHITPLQ271 EQSKEVAIRI281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL 311 NDQVTLLKYG321 VHEIIYTMLA331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG 361 DFMEPKFEFA371 VKFNALELDD381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD 411 NLLQALELQL421 KLNHPESSQL431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET 461 DMSLHPLLQE471 IYKDLY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PEM or .PEM2 or .PEM3 or :3PEM;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:323 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE282
2.710
CYS285
2.963
GLN286
3.065
ARG288
3.333
SER289
2.638
ALA292
2.744
GLU295
4.638
HIS323
3.384
ILE326
3.520
TYR327
3.799
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| Ligand Name: Pemafibrate | Ligand Info | |||||
| Structure Description | X-ray structure of human PPAR gamma ligand binding domain-pemafibrate co-crystals obtained by co-crystallization | PDB:7WGQ | ||||
| Method | X-ray diffraction | Resolution | 2.43 Å | Mutation | No | [6] |
| PDB Sequence |
HMQLNPESAD
210 LRALAKHLYD220 SYIKSFPLTK230 AKARAILTGK240 TTDKSPFVIY250 DMNSLMMGED 260 KIKFKHITPL270 QEQSKEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD 310 LNDQVTLLKY320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF 360 GDFMEPKFEF370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ 410 DNLLQALELQ420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE 460 TDMSLHPLLQ470 EIYKDLY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P7F or .P7F2 or .P7F3 or :3P7F;style chemicals stick;color identity;select .A:226 or .A:228 or .A:249 or .A:255 or .A:259 or .A:264 or .A:266 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:323 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE226
4.975
LEU228
4.972
ILE249
4.212
LEU255
3.344
GLU259
3.712
PHE264
3.138
HIS266
2.908
ARG280
4.244
ILE281
3.286
PHE282
2.860
GLY284
3.579
CYS285
2.796
GLN286
2.627
ARG288
3.156
SER289
2.465
ALA292
2.952
GLU295
4.539
HIS323
2.662
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| Ligand Name: Fenofibric acid | Ligand Info | |||||
| Structure Description | X-ray structure of human PPAR gamma ligand binding domain-fenofibric acid co-crystals obtained by co-crystallization | PDB:7WGP | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [6] |
| PDB Sequence |
MQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 SPFVIYDMNS254 LMMGEDKIKF 264 KHITPLQEQS274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ 314 VTLLKYGVHE324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM 364 EPKFEFAVKF374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL 414 QALELQLKLN424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTSLHPL 468 LQEIYKDLY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F5A or .F5A2 or .F5A3 or :3F5A;style chemicals stick;color identity;select .A:226 or .A:227 or .A:228 or .A:249 or .A:255 or .A:259 or .A:263 or .A:264 or .A:265 or .A:266 or .A:277 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:291 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:356 or .A:360 or .A:361 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE226
3.972
PRO227
4.530
LEU228
4.756
ILE249
3.957
LEU255
2.893
GLU259
3.284
LYS263
4.371
PHE264
2.540
LYS265
3.031
HIS266
3.579
VAL277
4.917
ALA278
3.171
ARG280
3.112
ILE281
3.353
PHE282
2.705
GLY284
3.132
CYS285
3.304
GLN286
3.403
PHE287
3.507
ARG288
2.613
SER289
3.119
GLU291
3.515
ALA292
3.046
GLU295
3.436
ILE296
4.953
HIS323
2.949
ILE325
4.670
ILE326
3.009
TYR327
4.505
MET329
3.028
LEU330
3.051
LEU333
3.914
VAL339
4.222
ILE341
3.634
SER342
2.743
GLU343
3.588
MET348
2.601
LEU353
4.678
LEU356
3.832
PHE360
3.057
GLY361
4.767
PHE363
2.761
MET364
2.890
LYS367
4.788
HIS449
3.104
LEU453
3.442
LEU465
4.053
LEU469
2.887
TYR473
2.277
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| Ligand Name: Diclofenac | Ligand Info | |||||
| Structure Description | Crystal structure of V290M PPARgamma mutant in complex with diclofenac | PDB:4OJ4 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [7] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTKSPFV248 IYDMNSLMMG258 EDKIEQSKEV 277 AIRIFQGCQF287 RSMEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDLY 477
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DIF or .DIF2 or .DIF3 or :3DIF;style chemicals stick;color identity;select .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:353 or .A:363 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Eicosapentaenoic acid/docosa-hexaenoic acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with DHA | PDB:2VV0 | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [8] |
| PDB Sequence |
ALNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKD |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HXA or .HXA2 or .HXA3 or :3HXA;style chemicals stick;color identity;select .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE281
4.266
GLY284
4.226
CYS285
3.718
ARG288
3.243
SER289
2.762
HIS323
2.921
ILE326
4.087
TYR327
3.576
LEU330
3.757
LEU333
4.598
VAL339
4.353
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| Ligand Name: Mifepristone | Ligand Info | |||||
| Structure Description | Revealing a steroid receptor ligand as a unique PPARgamma agonist | PDB:3QT0 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [9] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKSPFVIY250 DMNSLMMGED260 KIKFKHITPL 270 QEQSKEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY 320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF 370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ 420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ 470 EIYKDLY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .486 or .4862 or .4863 or :3486;style chemicals stick;color identity;select .A:265 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS265
3.941
PHE282
4.577
GLY284
3.821
CYS285
3.480
GLN286
3.938
ARG288
3.556
SER289
3.710
ALA292
3.503
ILE326
3.494
TYR327
2.958
MET329
4.460
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| Ligand Name: Tesaglitazar | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST AZ 242 | PDB:1I7I | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [10] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKDL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AZ2 or .AZ22 or .AZ23 or :3AZ2;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG280
3.989
ILE281
3.747
PHE282
3.567
GLY284
3.204
CYS285
3.558
GLN286
3.703
ARG288
4.348
SER289
2.817
HIS323
2.784
ILE326
4.071
TYR327
3.834
LEU330
3.913
|
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| Ligand Name: Resveratrol | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma LBD and trans-resveratrol | PDB:4JAZ | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [11] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYK
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .STL or .STL2 or .STL3 or :3STL;style chemicals stick;color identity;select .A:255 or .A:259 or .A:264 or .A:266 or .A:267 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:330 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: CPL-7075 | Ligand Info | |||||
| Structure Description | Ajulemic acid, a synthetic cannabinoid bound to PPAR gamma | PDB:2OM9 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [12] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AJA or .AJA2 or .AJA3 or :3AJA;style chemicals stick;color identity;select .A:249 or .A:255 or .A:264 or .A:265 or .A:266 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:288 or .A:290 or .A:330 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:466 or .A:467 or .A:468 or .A:471; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.928
LEU255
4.103
PHE264
2.729
LYS265
2.721
HIS266
3.435
ALA278
4.400
ARG280
4.387
ILE281
3.837
PHE282
3.853
GLY284
3.913
CYS285
3.519
ARG288
3.390
VAL290
3.261
LEU330
4.348
|
|||||
| Ligand Name: Ragaglitazar | Ligand Info | |||||
| Structure Description | Ligand binding domain of the human peroxisome proliferator activated receptor gamma in complex with an agonist | PDB:1NYX | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [13] |
| PDB Sequence |
DQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEDK 261 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DRF or .DRF2 or .DRF3 or :3DRF;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE281
3.471
PHE282
3.162
GLY284
3.997
CYS285
2.888
GLN286
3.481
ARG288
3.687
SER289
3.263
HIS323
2.575
ILE326
3.623
TYR327
3.923
LEU330
2.983
LEU333
4.543
VAL339
4.560
|
|||||
| Ligand Name: Rivoglitazone | Ligand Info | |||||
| Structure Description | X-ray Crystal Structure of the PPARgamma Ligand Binding Domain in Complex with Rivoglitazone | PDB:5U5L | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [14] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7VA or .7VA2 or .7VA3 or :37VA;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:348 or .A:353 or .A:364 or .A:449 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG280
3.976
ILE281
3.818
PHE282
3.088
GLY284
3.926
CYS285
3.355
GLN286
3.252
ARG288
4.077
SER289
2.938
HIS323
2.916
ILE326
3.989
TYR327
3.480
|
|||||
| Ligand Name: Farglitazar | Ligand Info | |||||
| Structure Description | THE 2.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN RXRALPHA AND PPARGAMMA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH 9-CIS RETINOIC ACID AND GI262570 AND CO-ACTIVATOR PEPTIDES. | PDB:1FM9 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [15] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 HITPLQEQSK275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV 315 TLLKYGVHEI325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME 365 PKFEFAVKFN375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ 415 ALELQLKLNH425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL 465 HPLLQEIYKD475 LY
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .570 or .5702 or .5703 or :3570;style chemicals stick;color identity;select .D:255 or .D:278 or .D:280 or .D:281 or .D:282 or .D:284 or .D:285 or .D:286 or .D:288 or .D:289 or .D:323 or .D:326 or .D:327 or .D:330 or .D:339 or .D:340 or .D:341 or .D:342 or .D:348 or .D:353 or .D:356 or .D:360 or .D:363 or .D:364 or .D:449 or .D:453 or .D:456 or .D:465 or .D:469 or .D:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU255
4.311
ALA278
4.996
ARG280
3.672
ILE281
3.784
PHE282
3.294
GLY284
3.611
CYS285
3.350
GLN286
2.890
ARG288
4.304
SER289
2.865
HIS323
2.508
ILE326
3.777
TYR327
3.479
LEU330
3.355
VAL339
4.351
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: IVA337 | Ligand Info | |||||
| Structure Description | Structure of human PPAR gamma LBD in complex with Lanifibranor (IVA337) | PDB:6ENQ | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [16] |
| PDB Sequence |
LNPESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKD |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BJB or .BJB2 or .BJB3 or :3BJB;style chemicals stick;color identity;select .A:228 or .A:281 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU228
3.640
ILE281
3.948
GLY284
3.825
CYS285
2.532
GLN286
3.905
ARG288
3.156
SER289
2.504
ILE326
3.847
TYR327
3.272
LEU330
3.217
LEU333
3.318
|
|||||
| Ligand Name: Mitoglitazone | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Mitoglitazone | PDB:6O67 | ||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [17] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKKEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LO7 or .LO72 or .LO73 or :3LO7;style chemicals stick;color identity;select .A:280 or .A:281 or .A:283 or .A:284 or .A:285 or .A:287 or .A:288 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: INT131 | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARg in complex with INT131 | PDB:3FUR | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [18] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGKEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKDLY |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z12 or .Z122 or .Z123 or :3Z12;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA278
3.778
ILE281
3.706
PHE282
3.566
GLY284
3.640
CYS285
3.618
GLN286
4.330
ARG288
3.192
SER289
3.828
ILE326
4.928
TYR327
2.748
LEU330
3.605
VAL339
3.848
|
|||||
| Ligand Name: Betulinic acid | Ligand Info | |||||
| Structure Description | PPARgamma complex with the betulinic acid | PDB:5LSG | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [19] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QZQ or .QZQ2 or .QZQ3 or :3QZQ;style chemicals stick;color identity;select .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:334 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE282
3.413
GLY284
4.241
CYS285
2.811
GLN286
3.384
ARG288
3.325
SER289
2.697
HIS323
2.746
ILE326
3.086
TYR327
2.341
LEU330
3.341
LEU333
4.874
MET334
4.791
|
|||||
| Ligand Name: GW-409544 | Ligand Info | |||||
| Structure Description | The 2.3 Angstrom resolution crystal structure of the heterodimer of the human PPARgamma and RXRalpha ligand binding domains respectively bound with GW409544 and 9-cis retinoic acid and co-activator peptides. | PDB:1K74 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [20] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 HITPLQEQSK275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV 315 TLLKYGVHEI325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME 365 PKFEFAVKFN375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ 415 ALELQLKLNH425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL 465 HPLLQEIYKD475 LY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .544 or .5442 or .5443 or :3544;style chemicals stick;color identity;select .D:261 or .D:269 or .D:278 or .D:280 or .D:281 or .D:282 or .D:284 or .D:285 or .D:286 or .D:288 or .D:289 or .D:323 or .D:326 or .D:327 or .D:330 or .D:339 or .D:340 or .D:341 or .D:342 or .D:348 or .D:353 or .D:356 or .D:360 or .D:363 or .D:364 or .D:449 or .D:453 or .D:465 or .D:469 or .D:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS261
3.855
PRO269
4.255
ALA278
4.863
ARG280
3.190
ILE281
3.531
PHE282
3.673
GLY284
4.096
CYS285
3.339
GLN286
3.847
ARG288
4.137
SER289
2.870
HIS323
2.745
ILE326
4.138
TYR327
3.768
LEU330
3.461
|
|||||
| Ligand Name: Ciglitazone | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Ciglitazone | PDB:6O68 | ||||
| Method | X-ray diffraction | Resolution | 2.78 Å | Mutation | No | [17] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFSK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LO4 or .LO42 or .LO43 or :3LO4;style chemicals stick;color identity;select .A:264 or .A:280 or .A:281 or .A:283 or .A:284 or .A:285 or .A:287 or .A:288 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Indeglitazar | Ligand Info | |||||
| Structure Description | Structure of PPARgamma with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid | PDB:3ET3 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [21] |
| PDB Sequence |
MESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDLY 477
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ET1 or .ET12 or .ET13 or :3ET1;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:340 or .A:341 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA278
4.412
ILE281
3.564
PHE282
3.355
CYS285
3.602
GLN286
3.975
ARG288
3.290
SER289
3.139
HIS323
3.013
ILE326
4.022
TYR327
3.309
LEU330
3.784
LEU340
4.439
|
|||||
| Ligand Name: 3-(5-methoxy-1H-indol-3-yl)propanoic acid | Ligand Info | |||||
| Structure Description | Structure of PPARgamma with 3-(5-Methoxy-1H-indol-3-yl)-propionic acid | PDB:3ET0 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [21] |
| PDB Sequence |
MESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKEV 277 AIRIFQGQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKDLY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ET0 or .ET02 or .ET03 or :3ET0;style chemicals stick;color identity;select .A:281 or .A:282 or .A:286 or .A:289 or .A:323 or .A:327 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: S,S-(2-Hydroxyethyl)Thiocysteine | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-17 | PDB:6K0T | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [22] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKE 276 VAIRIFQGQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDLY 477
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:262 or .A:281 or .A:282 or .A:283 or .A:284 or .A:286 or .A:287 or .A:288 or .A:289 or .A:341 or .A:348; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Serotonin | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with serotonin | PDB:3ADV | ||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DL
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SRO or .SRO2 or .SRO3 or :3SRO;style chemicals stick;color identity;select .A:226 or .A:227 or .A:228 or .A:229 or .A:230 or .A:285 or .A:288 or .A:289 or .A:295 or .A:323 or .A:326 or .A:327 or .A:329 or .A:330 or .A:332 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:353 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.976
PRO227
3.322
LEU228
2.728
THR229
4.502
LYS230
4.750
CYS285
3.330
ARG288
3.179
SER289
3.204
GLU295
3.278
HIS323
4.442
ILE326
3.555
TYR327
2.800
MET329
3.446
|
|||||
| Ligand Name: 5-hydroxy-1H-indole-3-acetic acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with 5-hydroxy-indole acetate | PDB:3ADT | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HID or .HID2 or .HID3 or :3HID;style chemicals stick;color identity;select .A:222 or .A:226 or .A:227 or .A:228 or .A:229 or .A:230 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:295 or .A:323 or .A:326 or .A:327 or .A:328 or .A:329 or .A:330 or .A:332 or .A:333 or .A:343 or .A:363 or .A:364 or .A:367 or .A:381 or .A:384 or .A:449 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR222
3.235
PHE226
4.006
PRO227
2.812
LEU228
3.036
THR229
3.501
LYS230
3.197
PHE282
4.706
CYS285
3.649
GLN286
3.123
ARG288
3.220
SER289
2.773
GLU295
3.542
HIS323
3.339
ILE326
3.833
TYR327
2.753
|
|||||
| Ligand Name: (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPAR-gamma and the agonist LT248 (clofibric acid analogue) | PDB:3CDS | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [23] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GRR or .GRR2 or .GRR3 or :3GRR;style chemicals stick;color identity;select .A:282 or .A:283 or .A:285 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:363 or .A:364 or .A:449 or .A:453 or .A:456 or .A:463 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid | PDB:3CDP | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [24] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YRG or .YRG2 or .YRG3 or :3YRG;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:363 or .A:364 or .A:449 or .A:453 or .A:456 or .A:463 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Myristic acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with S35 | PDB:5GTO | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [25] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLKEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY 320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF 370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ 420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ 470 EIYKDLY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MYR or .MYR2 or .MYR3 or :3MYR;style chemicals stick;color identity;select .A:222 or .A:226 or .A:228 or .A:229 or .A:230 or .A:285 or .A:288 or .A:289 or .A:292 or .A:295 or .A:326 or .A:327 or .A:329 or .A:330 or .A:332 or .A:333 or .A:364 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cysteine Sulfenic Acid | Ligand Info | |||||
| Structure Description | PPARg LBD bound to SR10171 | PDB:6C5Q | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [26] |
| PDB Sequence |
HHHGSHMESA
209 DLRALAKHLY219 DSYIKSFPLT229 KAKARAILTG239 KTTDKSPFVI249 YDMNSLMMGE 259 DKIKFKHITP269 LQEQSKEVAI279 RIFQGQFRSV290 EAVQEITEYA300 KSIPGFVNLD 310 LNDQVTLLKY320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF 360 GDFMEPKFEF370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ 410 DNLLQALELQ420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE 460 TDMSLHPLLQ470 EIYKDLY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:281 or .A:282 or .A:283 or .A:284 or .A:286 or .A:287 or .A:288 or .A:289 or .A:363 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: GW1929 | Ligand Info | |||||
| Structure Description | PPAR mutant | PDB:6T1S | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [27] |
| PDB Sequence |
MQLNPESADL
239 RALAKHLYDS249 YIKSFPLTKA259 KARAILTTTD271 KSPFVIYDMN281 SLMMGEDKIK 291 FKHITPLQEQ301 SKEVAIRISQ311 GCQFRSVEAV321 QEITEYAKSI331 PGFVNLDLND 341 QVTLLKYGVH351 EIIYTMLASL361 MNKDGVLISE371 GQGFMTREFL381 KSLRKPFGDF 391 MEPKFEFAVK401 FNALELDDSD411 LAIFIAVIIL421 SGDRPGLLNV431 KPIEDIQDNL 441 LQALELQLKL451 NHPESSQLFA461 KLLQKMTDLR471 QIVTEHVQLL481 QVIKKTETDM 491 SLHPLLQEIY501 KDLY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EDK or .EDK2 or .EDK3 or :3EDK;style chemicals stick;color identity;select .A:290 or .A:291 or .A:306 or .A:308 or .A:309 or .A:310 or .A:311 or .A:312 or .A:313 or .A:314 or .A:316 or .A:317 or .A:351 or .A:354 or .A:355 or .A:358 or .A:362 or .A:367 or .A:368 or .A:369 or .A:370 or .A:376 or .A:381 or .A:384 or .A:388 or .A:389 or .A:391 or .A:392 or .A:395 or .A:477 or .A:481 or .A:484 or .A:491 or .A:493 or .A:494 or .A:497 or .A:501; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE290
2.431
LYS291
4.352
ALA306
4.430
ARG308
4.879
ILE309
2.545
SER310
2.403
GLN311
4.910
GLY312
2.536
CYS313
2.384
GLN314
2.688
ARG316
2.689
SER317
1.813
HIS351
2.206
ILE354
3.195
TYR355
2.064
LEU358
2.504
MET362
4.533
VAL367
2.758
LEU368
3.743
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Tributylstannanyl | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma ligand binding domain in complex with tributyltin | PDB:3WJ4 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [28] |
| PDB Sequence |
GSESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKKSPF247 VIYDMNSLMM257 GEDKISKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TBY or .TBY2 or .TBY3 or :3TBY;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 9-hydroxyoctadecadienoic acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with 9-(S)-HODE | PDB:2VSR | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [8] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKD |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9HO or .9HO2 or .9HO3 or :39HO;style chemicals stick;color identity;select .A:226 or .A:227 or .A:228 or .A:229 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:291 or .A:292 or .A:295 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE226
3.266
PRO227
2.855
LEU228
2.854
THR229
4.856
ILE281
3.554
PHE282
4.081
GLY284
4.006
CYS285
3.265
GLN286
4.656
ARG288
2.814
SER289
2.785
GLU291
3.915
ALA292
4.982
GLU295
3.010
HIS323
3.069
ILE325
4.847
ILE326
3.001
TYR327
4.242
MET329
3.287
|
|||||
| Ligand Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with 13-(S)-HODE | PDB:2VST | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [8] |
| PDB Sequence |
LNPESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGEDKIK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .243 or .2432 or .2433 or :3243;style chemicals stick;color identity;select .A:281 or .A:284 or .A:285 or .A:288 or .A:292 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: T0070907 | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma ligand binding domain in complex with N-CoR peptide and inverse agonist T0070907 | PDB:6ONI | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [29] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EEY or .EEY2 or .EEY3 or :3EEY;style chemicals stick;color identity;select .B:281 or .B:282 or .B:285 or .B:286 or .B:323 or .B:327 or .B:363 or .B:364 or .B:367 or .B:446 or .B:449 or .B:452 or .B:473 or .B:474 or .B:476 or .B:477; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Oleic Acid | PDB:6MD0 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [30] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGTDKSPFV248 IYDMNSLMMG258 EDKIKKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OLA or .OLA2 or .OLA3 or :3OLA;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
4.163
PHE282
4.449
GLY284
4.003
CYS285
3.186
GLN286
3.516
ARG288
4.326
SER289
2.966
HIS323
3.209
ILE326
4.391
TYR327
4.088
LEU330
3.809
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Arachidonic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Arachidonic Acid | PDB:6MCZ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [30] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGTDKSPFV248 IYDMNSLMMG258 EDKIKKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ACD or .ACD2 or .ACD3 or :3ACD;style chemicals stick;color identity;select .A:228 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU228
3.630
ILE281
4.917
PHE282
4.879
GLY284
4.106
CYS285
3.214
GLN286
4.540
ARG288
3.302
SER289
2.780
HIS323
2.974
ILE326
4.840
TYR327
4.453
LEU330
4.126
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175 | PDB:4L98 | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | Yes | [31] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIEVAIRIFQ283 GCQFRSVEAV 293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH323 EIIYTMLASL333 MNKDGVLISE 343 GQGFMTREFL353 KSLRKPLGDF363 MEPKFEFAVK373 FNALELDDSD383 LAIFIAVIIL 393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL423 NHPESSQLFA433 KLLQKMTDLR 443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY473 KDLY
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LRG or .LRG2 or .LRG3 or :3LRG;style chemicals stick;color identity;select .A:282 or .A:283 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:363 or .A:364 or .A:449 or .A:453 or .A:464 or .A:465 or .A:466 or .A:467 or .A:470; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: nTzDpa | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma bound to partial agonist nTZDpa | PDB:2Q5S | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [32] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIYDMNSLMM257 GEDKEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKDLY |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NZA or .NZA2 or .NZA3 or :3NZA;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.242
LEU255
3.702
GLU259
4.257
ARG280
4.535
ILE281
3.456
GLY284
3.477
CYS285
3.623
ARG288
3.568
SER289
3.950
ALA292
3.472
ILE326
3.610
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-chloro-5-nitro-N-phenylbenzamide | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding dmain complexed with GW9662 in a covalent bonded form | PDB:3B0R | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [33] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKS 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GW9 or .GW92 or .GW93 or :3GW9;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: MRL20 | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma LBD bound to full agonist MRL20 | PDB:2Q59 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [32] |
| PDB Sequence |
> Chain A
ESADLRALAK 216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKEVAIR 280 IFQGQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKD > Chain B ESADLRALAK 216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 IKEVAIRIFQ283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIHPLLQEI472 YKD |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .240 or .2402 or .2403 or :3240;style chemicals stick;color identity;select .A:226 or .A:281 or .A:282 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473 or .B:226 or .B:281 or .B:282 or .B:285 or .B:286 or .B:288 or .B:289 or .B:292 or .B:295 or .B:296 or .B:323 or .B:325 or .B:326 or .B:327 or .B:329 or .B:330 or .B:333 or .B:339 or .B:340 or .B:341 or .B:348 or .B:353 or .B:363 or .B:364 or .B:367 or .B:449 or .B:453; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226[A]
4.407
ILE281[A]
4.133
PHE282[A]
4.240
GLN286[A]
3.857
ARG288[A]
3.233
SER289[A]
2.832
ALA292[A]
3.666
GLU295[A]
3.985
ILE296[A]
3.619
HIS323[A]
2.797
ILE325[A]
3.925
ILE326[A]
3.758
TYR327[A]
2.989
MET329[A]
3.395
LEU330[A]
3.601
LEU333[A]
2.736
VAL339[A]
3.600
LEU340[A]
3.518
ILE341[A]
3.796
MET348[A]
3.706
LEU353[A]
3.605
MET364[A]
3.788
LYS367[A]
4.077
HIS449[A]
2.709
LEU453[A]
4.117
LEU469[A]
4.158
TYR473[A]
2.506
PHE226[B]
4.457
ILE281[B]
4.109
PHE282[B]
3.693
CYS285[B]
3.133
GLN286[B]
3.639
ARG288[B]
3.147
SER289[B]
2.900
ALA292[B]
3.606
GLU295[B]
3.754
ILE296[B]
3.304
HIS323[B]
3.815
ILE325[B]
4.133
ILE326[B]
3.552
TYR327[B]
3.739
MET329[B]
3.454
LEU330[B]
3.503
LEU333[B]
2.817
VAL339[B]
3.674
LEU340[B]
3.747
ILE341[B]
3.657
MET348[B]
3.139
LEU353[B]
3.817
PHE363[B]
3.747
MET364[B]
3.396
LYS367[B]
3.088
HIS449[B]
2.963
LEU453[B]
3.711
|
|||||
| Ligand Name: MRL24 | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma bound to partial agonist MRL24 | PDB:2Q5P | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [32] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKEVAIR 280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY320 GVHEIIYTML 330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF370 AVKFNALELD 380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ420 LKLNHPESSQ 430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ470 EIYKDL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .241 or .2412 or .2413 or :3241;style chemicals stick;color identity;select .A:226 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.597
ILE281
3.777
GLY284
3.417
CYS285
3.325
ARG288
2.562
SER289
2.888
ALA292
3.459
GLU295
3.860
ILE296
3.852
HIS323
4.998
ILE325
4.217
ILE326
3.224
TYR327
3.447
|
|||||
| Ligand Name: Edaglitazone | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Edaglitazone | PDB:5UGM | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [30] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8A7 or .8A72 or .8A73 or :38A7;style chemicals stick;color identity;select .A:255 or .A:264 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:272 or .A:280 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:464 or .A:465 or .A:466 or .A:467 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.974
PHE264
3.713
ILE267
3.625
THR268
3.964
PRO269
3.428
LEU270
3.041
GLN271
2.684
GLU272
4.101
ARG280
4.388
ILE281
3.754
PHE282
3.173
GLN283
3.799
GLY284
3.710
CYS285
3.258
GLN286
3.923
PHE287
3.396
ARG288
3.997
SER289
2.457
HIS323
2.646
ILE326
4.276
|
|||||
| Ligand Name: Aleglitazar | Ligand Info | |||||
| Structure Description | Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes | PDB:3G9E | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [34] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDLY |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RO7 or .RO72 or .RO73 or :3RO7;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG280
4.365
ILE281
4.059
PHE282
3.659
GLY284
3.646
CYS285
3.094
GLN286
4.294
ARG288
4.018
SER289
2.626
HIS323
2.645
ILE326
4.259
TYR327
3.919
LEU330
3.252
|
|||||
| Ligand Name: (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid | Ligand Info | |||||
| Structure Description | Molecular recognition of nitro-fatty acids by PPAR gamma | PDB:3CWD | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [35] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIYDMNSLMM257 GEDSKEVAIR 280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY320 GVHEIIYTML 330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF370 AVKFNALELD 380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ420 LKLNHPESSQ 430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ470 EIYKDLY |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LNB or .LNB2 or .LNB3 or :3LNB;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
4.318
PHE282
4.449
GLY284
4.499
CYS285
3.207
GLN286
1.917
ARG288
3.674
SER289
3.525
ILE326
3.865
TYR327
3.511
LEU330
4.027
LEU333
4.235
|
|||||
| Ligand Name: GW0072 | Ligand Info | |||||
| Structure Description | 0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL | PDB:4PRG | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [36] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .072 or .0722 or .0723 or :3072;style chemicals stick;color identity;select .A:226 or .A:228 or .A:255 or .A:259 or .A:264 or .A:266 or .A:267 or .A:277 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:288 or .A:292 or .A:295 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
4.677
LEU228
4.384
LEU255
3.654
GLU259
3.282
PHE264
3.562
HIS266
2.727
ILE267
3.735
VAL277
4.480
ALA278
3.122
ARG280
2.808
ILE281
3.463
PHE282
3.843
GLY284
4.279
CYS285
3.551
ARG288
2.990
ALA292
4.360
GLU295
4.031
|
|||||
| Ligand Name: Decanoic acid | Ligand Info | |||||
| Structure Description | Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide | PDB:3U9Q | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [37] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIYDMNSLMM257 GEDKIKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DKA or .DKA2 or .DKA3 or :3DKA;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:289 or .A:323 or .A:327 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Chelerythrine | Ligand Info | |||||
| Structure Description | Identification of a novel PPARg ligand that regulates metabolism | PDB:4Y29 | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [38] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIYDMNSLMM257 GEDKIKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CTI or .CTI2 or .CTI3 or :3CTI;style chemicals stick;color identity;select .A:281 or .A:282 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma LBD and the ligand NV1346 (3a) | PDB:6T9C | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [39] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEVAIRIFQ 283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH323 EIIYTMLASL 333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK373 FNALELDDSD 383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL423 NHPESSQLFA 433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY473 K |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MX8 or .MX82 or .MX83 or :3MX8;style chemicals stick;color identity;select .A:226 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.591
PHE282
3.500
CYS285
3.568
GLN286
3.313
ARG288
3.327
SER289
2.818
ALA292
3.473
GLU295
3.808
ILE296
3.894
HIS323
2.876
ILE325
4.377
ILE326
4.048
|
|||||
| Ligand Name: (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid | Ligand Info | |||||
| Structure Description | X-ray structure of PPARgamma LBD with the ligand NV1380 | PDB:6QJ5 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [40] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEVAIRIFQ 283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH323 EIIYTMLASL 333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK373 FNALELDDSD 383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL423 NHPESSQLFA 433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY473 K |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H8R or .H8R2 or .H8R3 or :3H8R;style chemicals stick;color identity;select .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:291 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE282
4.043
GLY284
4.656
CYS285
3.256
GLN286
3.292
ARG288
3.352
SER289
2.900
GLU291
4.885
HIS323
2.667
ILE326
4.266
TYR327
3.030
LEU330
3.941
LEU333
4.941
|
|||||
| Ligand Name: (2s)-3-(Biphenyl-4-Yl)-2-(Biphenyl-4-Yloxy)propanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma LBD and the ligand LJ570: structure obtained from crystals of the apo-form soaked for 15 days. | PDB:6F2L | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [41] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AXY or .AXY2 or .AXY3 or :3AXY;style chemicals stick;color identity;select .A:282 or .A:283 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:456 or .A:463 or .A:464 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE282
3.302
GLN283
3.679
CYS285
3.112
GLN286
2.930
ARG288
4.378
SER289
2.774
HIS323
2.731
ILE326
3.998
TYR327
3.616
LEU330
3.598
VAL339
4.298
LEU340
4.108
ILE341
3.795
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma LBD and the ligand NV1362 (7a) | PDB:6ZLY | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [40] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEEVAIRIF 282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN312 DQVTLLKYGV322 HEIIYTMLAS 332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD362 FMEPKFEFAV372 KFNALELDDS 382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN412 LLQALELQLK422 LNHPESSQLF 432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD462 MSLHPLLQEI472 YK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QMH or .QMH2 or .QMH3 or :3QMH;style chemicals stick;color identity;select .A:226 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
4.153
PHE282
3.859
CYS285
3.428
GLN286
3.448
ARG288
3.366
SER289
2.619
ALA292
3.784
GLU295
4.300
ILE296
3.727
HIS323
2.942
ILE325
4.353
ILE326
3.863
|
|||||
| Ligand Name: (5Z)-5-[[4-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10638 | PDB:6DGR | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [17] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDY or .GDY2 or .GDY3 or :3GDY;style chemicals stick;color identity;select .A:264 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE264
4.623
ILE281
3.859
PHE282
3.112
GLY284
3.922
CYS285
3.320
GLN286
3.922
ARG288
4.214
SER289
2.847
HIS323
2.647
ILE326
4.527
TYR327
3.956
LEU330
3.980
|
|||||
| Ligand Name: 4-[2-(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-ylsulfanyl)ethyl]benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of PPAR gamma in complex with NMP422 | PDB:6DBH | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [42] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKF 264 KHITPLQEQS274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ 314 VTLLKYGVHE324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM 364 EPKFEFAVKF374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL 414 QALELQLKLN424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS 464 LHPLLQEIYK474 D
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G3S or .G3S2 or .G3S3 or :3G3S;style chemicals stick;color identity;select .A:262 or .A:263 or .A:264 or .A:266 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
4.020
LYS263
4.042
PHE264
3.722
HIS266
3.047
ILE281
3.371
GLY284
3.321
CYS285
2.978
ARG288
2.727
SER289
3.617
ALA292
3.585
ILE326
3.401
TYR327
3.867
|
|||||
| Ligand Name: (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid | Ligand Info | |||||
| Structure Description | X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid | PDB:3BC5 | ||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [43] |
| PDB Sequence |
MQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 SPFVIYDMNS254 LMMGEDKIKF 264 KHKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN312 DQVTLLKYGV 322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD362 FMEPKFEFAV 372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN412 LLQALELQLK 422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTEMS464 LHPLLQEIYK 474 DLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZAA or .ZAA2 or .ZAA3 or :3ZAA;style chemicals stick;color identity;select .A:264 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE264
3.717
ALA278
3.942
ARG280
4.277
ILE281
3.629
PHE282
3.347
GLY284
3.648
CYS285
3.324
GLN286
4.046
ARG288
4.125
SER289
3.837
HIS323
4.644
ILE326
3.564
TYR327
3.435
LEU330
4.060
VAL339
4.173
|
|||||
| Ligand Name: (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Structure of PPARgamma ligand binding domain - lobeglitazone complex | PDB:5Y2T | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [44] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKQSK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8LX or .8LX2 or .8LX3 or :38LX;style chemicals stick;color identity;select .A:249 or .A:255 or .A:258 or .A:259 or .A:262 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.199
LEU255
3.835
GLY258
3.688
GLU259
3.947
ILE262
4.632
ARG280
3.767
ILE281
3.707
PHE282
3.144
GLY284
3.548
CYS285
3.399
GLN286
3.765
ARG288
4.235
SER289
2.636
HIS323
2.765
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Structure of PPARgamma ligand binding domain-pioglitazone complex | PDB:5Y2O | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [44] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKQSK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 LY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8N6 or .8N62 or .8N63 or :38N6;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.802
PHE282
3.193
GLY284
4.065
CYS285
3.591
GLN286
4.140
ARG288
4.177
SER289
2.553
HIS323
2.982
ILE326
3.936
TYR327
3.590
LEU330
3.836
|
|||||
| Ligand Name: 4-{1-[2-Chloro-6-(Trifluoromethyl)benzoyl]-1h-Indazol-3-Yl}benzoic Acid | Ligand Info | |||||
| Structure Description | PPAR gamma ligand binding domain in complex with MRL-871 | PDB:6TDC | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [45] |
| PDB Sequence |
SHMESADLRA
241 LAKHLYDSYI251 KSFPLTKAKA261 RAILTGKTTD271 KSPFVIYDMN281 SLMMGEDKEV 305 AIRIFQGCQF315 RSVEAVQEIT325 EYAKSIPGFV335 NLDLNDQVTL345 LKYGVHEIIY 355 TMLASLMNKD365 GVLISEGQGF375 MTREFLKSLR385 KPFGDFMEPK395 FEFAVKFNAL 405 ELDDSDLAIF415 IAVIILSGDR425 PGLLNVKPIE435 DIQDNLLQAL445 ELQLKLNHPE 455 SSQLFAKLLQ465 KMTDLRQIVT475 EHVQLLQVIK485 KTETDMSLHP495 LLQEIYKDLY 505
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4F1 or .4F12 or .4F13 or :34F1;style chemicals stick;color identity;select .A:310 or .A:313 or .A:314 or .A:316 or .A:317 or .A:354 or .A:355 or .A:358 or .A:361 or .A:362 or .A:367 or .A:368 or .A:369 or .A:370 or .A:381 or .A:391 or .A:392 or .A:395 or .A:396 or .A:477 or .A:481; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE310
3.642
CYS313
3.353
GLN314
3.547
ARG316
3.134
SER317
3.442
ILE354
3.429
TYR355
4.803
LEU358
3.675
LEU361
4.497
MET362
3.338
VAL367
3.878
|
|||||
| Ligand Name: 2-[(2,4-Dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid | Ligand Info | |||||
| Structure Description | PPARgamma in complex with a 2-BABA compound | PDB:1WM0 | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [46] |
| PDB Sequence |
IEGRLNPESA
209 DLRALAKHLY219 DSYIKSFPLT229 KAKARAILTG239 KTTDKSPFVI249 YDMNSLMMGE 259 DKIKFKHISK275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV 315 TLLKYGVHEI325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME 365 PKFEFAVKFN375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ 415 ALELQLKLNH425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL 465 HPLLQEIYKD475 LY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLB or .PLB2 or .PLB3 or :3PLB;style chemicals stick;color identity;select .X:249 or .X:255 or .X:259 or .X:264 or .X:266 or .X:267 or .X:280 or .X:281 or .X:284 or .X:285 or .X:288 or .X:289 or .X:292 or .X:326 or .X:329 or .X:330 or .X:333 or .X:339 or .X:340 or .X:341 or .X:342 or .X:343 or .X:348 or .X:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.253
LEU255
3.477
GLU259
3.451
PHE264
3.704
HIS266
3.193
ILE267
4.308
ARG280
3.972
ILE281
3.244
GLY284
3.360
CYS285
3.304
ARG288
2.955
SER289
3.945
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-17 | PDB:6K0T | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [22] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKE 276 VAIRIFQGQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDLY 477
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CTU or .CTU2 or .CTU3 or :3CTU;style chemicals stick;color identity;select .A:279 or .A:281 or .A:282 or .A:283 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:360 or .A:363 or .A:364 or .A:449 or .A:452 or .A:453 or .A:456 or .A:463 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE279
4.361
ILE281
4.599
PHE282
3.251
GLN283
3.373
GLN286
3.720
SER289
2.973
HIS323
2.693
ILE326
3.445
TYR327
3.586
LEU330
4.034
VAL339
3.744
LEU340
4.765
ILE341
3.671
|
|||||
| Ligand Name: 3-[5-(2-Nitropent-1-En-1-Yl)furan-2-Yl]benzoic Acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with indomethacin and nitro-233 | PDB:3ADX | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NRO or .NRO2 or .NRO3 or :3NRO;style chemicals stick;color identity;select .A:255 or .A:264 or .A:267 or .A:268 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:330 or .A:334 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
3.979
PHE264
3.084
ILE267
3.290
THR268
4.933
ARG280
4.697
ILE281
3.072
GLY284
4.558
CYS285
1.849
ARG288
3.486
SER289
4.231
ALA292
4.744
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-Hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-phenethylbenzoic acid | Ligand Info | |||||
| Structure Description | Ligand binding domain of human PPAR gamma in complex with amorfrutin 1 | PDB:2YFE | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [47] |
| PDB Sequence |
DQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEDK 261 ISKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN312 DQVTLLKYGV 322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD362 FMEPKFEFAV 372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN412 LLQALELQLK 422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD462 MSLHPLLQEI 472 YKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YFE or .YFE2 or .YFE3 or :3YFE;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.215
LEU255
3.970
GLU259
3.815
ARG280
3.590
ILE281
3.580
GLY284
3.962
CYS285
3.380
ARG288
3.566
SER289
3.849
ILE326
4.559
TYR327
4.944
|
|||||
| Ligand Name: 2-Methyl-2-[4-(Naphthalen-1-Yl)phenoxy]propanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex PPARgamma/AL26-29 | PDB:5HZC | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [48] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEVAIRIFQ 283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH323 EIIYTMLASL 333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK373 FNALELDDSD 383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL423 NHPESSQLFA 433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY473 K |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .65W or .65W2 or .65W3 or :365W;style chemicals stick;color identity;select .A:228 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Amorfrutin 2 | Ligand Info | |||||
| Structure Description | Ligand binding domain of human PPAR gamma in complex with amorfrutin 2 | PDB:4A4V | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [49] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 SKEVAIRIFQ283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY 473 KDLY
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YFD or .YFD2 or .YFD3 or :3YFD;style chemicals stick;color identity;select .A:255 or .A:259 or .A:262 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.116
GLU259
4.239
ILE262
4.343
ARG280
3.848
ILE281
3.753
GLY284
3.837
CYS285
3.455
ARG288
3.616
SER289
4.020
ILE326
4.502
|
|||||
| Ligand Name: Amorfrutin B | Ligand Info | |||||
| Structure Description | Ligand binding domain of human PPAR gamma in complex with amorfrutin B | PDB:4A4W | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [49] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKS 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DLY
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YFB or .YFB2 or .YFB3 or :3YFB;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.697
LEU255
3.877
GLU259
3.428
ARG280
3.791
ILE281
3.380
GLY284
3.810
CYS285
3.457
ARG288
3.245
SER289
4.054
ALA292
4.278
ILE325
4.845
ILE326
2.938
|
|||||
| Ligand Name: (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with 5-methoxy-indole acetate and 15-oxo-eicosatetraenoic acid | PDB:3ADW | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OCR or .OCR2 or .OCR3 or :3OCR;style chemicals stick;color identity;select .A:226 or .A:228 or .A:229 or .A:255 or .A:264 or .A:267 or .A:268 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:295 or .A:326 or .A:329 or .A:330 or .A:332 or .A:333 or .A:339 or .A:341 or .A:348 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
4.309
LEU228
2.865
THR229
4.973
LEU255
4.485
PHE264
3.877
ILE267
3.408
THR268
3.204
ARG280
4.478
ILE281
3.370
GLY284
3.787
CYS285
1.861
ARG288
2.978
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-Methoxyindole-3-acetic acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with 5-methoxy-indole acetate and 15-oxo-eicosatetraenoic acid | PDB:3ADW | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MYI or .MYI2 or .MYI3 or :3MYI;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Butyrolactone i | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding domain complexed with Butyrolactone 1 | PDB:6L89 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [50] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 LY
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E7C or .E7C2 or .E7C3 or :3E7C;style chemicals stick;color identity;select .A:228 or .A:255 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9 | PDB:6AD9 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [51] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTDKSPFV248 IYDMNSLMMG258 EDKKEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKDL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KK4 or .KK42 or .KK43 or :3KK4;style chemicals stick;color identity;select .A:281 or .A:282 or .A:283 or .A:285 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:348 or .A:353 or .A:360 or .A:363 or .A:364 or .A:449 or .A:452 or .A:453 or .A:456 or .A:463 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.960
PHE282
3.231
GLN283
3.354
CYS285
3.420
GLN286
3.519
SER289
2.843
HIS323
3.128
ILE326
4.468
TYR327
3.324
LEU330
3.952
VAL339
4.039
ILE341
3.681
MET348
4.380
|
|||||
| Ligand Name: 4'-[(2,3-Dimethyl-5-{[(1s)-1-(4-Nitrophenyl)ethyl]carbamoyl}-1h-Indol-1-Yl)methyl]biphenyl-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain in complex with SR1664 | PDB:5DWL | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [52] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKF 264 KHITPLQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3JX or .3JX2 or .3JX3 or :33JX;style chemicals stick;color identity;select .A:255 or .A:259 or .A:262 or .A:267 or .A:268 or .A:269 or .A:270 or .A:280 or .A:281 or .A:283 or .A:284 or .A:285 or .A:287 or .A:288 or .A:289 or .A:292 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.549
GLU259
4.469
ILE262
3.365
ILE267
3.805
THR268
4.185
PRO269
3.454
LEU270
2.930
ARG280
3.003
ILE281
3.783
GLN283
4.643
GLY284
3.741
CYS285
3.513
PHE287
3.287
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(4-{2-[1,3-Benzoxazol-2-Yl(Heptyl)amino]ethyl}phenoxy)-2-Methylpropanoic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma with an achiral ureidofibrate derivative (RT86) | PDB:3R8I | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [53] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XCX or .XCX2 or .XCX3 or :3XCX;style chemicals stick;color identity;select .A:228 or .A:264 or .A:266 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU228
3.304
PHE264
4.268
HIS266
4.985
ILE281
3.177
PHE282
4.015
GLY284
4.162
CYS285
2.958
GLN286
3.767
ARG288
2.769
SER289
2.534
HIS323
2.601
ILE326
4.278
TYR327
4.374
LEU330
3.880
LEU333
3.761
|
|||||
| Ligand Name: N-[2-[[3-[[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]methyl]phenyl]methoxy]phenyl]-3-nitrobenzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with SB1453 in a covalent bonded form | PDB:5DVC | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [54] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 HITPLKEVAI279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK 319 YGVHEIIYTM329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE 369 FAVKFNALEL379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL 419 QLKLNHPESS429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL 469 QEIYKDLY
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T53 or .T532 or .T533 or :3T53;style chemicals stick;color identity;select .A:262 or .A:263 or .A:264 or .A:266 or .A:267 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:345 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
3.208
LYS263
3.771
PHE264
3.249
HIS266
4.124
ILE267
3.402
ILE281
3.703
PHE282
3.511
GLY284
3.466
CYS285
1.667
GLN286
3.694
PHE287
3.970
ARG288
3.348
SER289
3.279
ALA292
3.979
HIS323
4.747
ILE326
3.426
MET329
4.495
|
|||||
| Ligand Name: (2r)-3-Phenyl-2-{[2'-(Propan-2-Yl)biphenyl-4-Yl]oxy}propanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma with the ligand FS214 | PDB:4E4Q | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [55] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RRH or .RRH2 or .RRH3 or :3RRH;style chemicals stick;color identity;select .A:263 or .A:264 or .A:265 or .A:266 or .A:281 or .A:284 or .A:285 or .A:287 or .A:288 or .A:291 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2s)-3-Phenyl-2-{[2'-(Propan-2-Yl)biphenyl-4-Yl]oxy}propanoic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma with the ligand JO21 | PDB:4E4K | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [55] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RRG or .RRG2 or .RRG3 or :3RRG;style chemicals stick;color identity;select .A:264 or .A:266 or .A:280 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:340 or .A:341 or .A:342 or .A:348 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:456 or .A:463 or .A:464 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE264
2.929
HIS266
3.642
ARG280
4.580
ILE281
4.147
PHE282
2.896
GLN283
3.405
GLY284
4.555
CYS285
3.003
GLN286
2.957
ARG288
3.287
SER289
2.851
ALA292
4.901
HIS323
2.379
ILE326
3.211
TYR327
3.196
LEU330
3.027
MET334
4.781
|
|||||
| Ligand Name: (2s)-(4-Chlorophenyl)[3-(Trifluoromethyl)phenoxy]ethanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen) | PDB:4PWL | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [56] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MSZ or .MSZ2 or .MSZ3 or :3MSZ;style chemicals stick;color identity;select .A:281 or .A:284 or .A:285 or .A:287 or .A:288 or .A:291 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(Benzyloxy)phenyl]-3-Nitrobenzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with SB1405 in a covalent bonded form | PDB:5DV3 | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [57] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DLY
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B05 or .B052 or .B053 or :3B05;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
4.028
PHE282
3.423
GLY284
3.945
CYS285
1.693
GLN286
3.663
ARG288
3.256
SER289
3.458
ALA292
4.406
HIS323
4.707
ILE326
3.508
MET329
4.728
LEU330
3.644
LEU333
4.429
|
|||||
| Ligand Name: N-[2-[[2-[[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]methyl]phenyl]methoxy]phenyl]-3-nitrobenzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with SB1451 in a covalent bonded form | PDB:5DV8 | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [58] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 HITPLSKEVA278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL 318 KYGVHEIIYT328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF 368 EFAVKFNALE378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE 418 LQLKLNHPES428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL 468 LQEIYKDLY
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T51 or .T512 or .T513 or :3T51;style chemicals stick;color identity;select .A:262 or .A:263 or .A:264 or .A:265 or .A:266 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:292 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
3.393
LYS263
3.420
PHE264
3.858
LYS265
3.369
HIS266
3.597
ILE281
3.854
PHE282
3.553
GLY284
2.929
CYS285
1.668
GLN286
3.548
PHE287
3.544
ARG288
3.222
SER289
3.439
ALA292
4.341
ILE326
3.477
MET329
4.450
|
|||||
| Ligand Name: N-methylidene-3-nitrobenzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with SB1404 in a covalent bonded form | PDB:5DV6 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [59] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B4H or .B4H2 or .B4H3 or :3B4H;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:330 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-(Benzyloxy)phenyl]-3-Nitrobenzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with SB1406 in a covalent bonded form | PDB:5DSH | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [60] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDLY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6BH or .6BH2 or .6BH3 or :36BH;style chemicals stick;color identity;select .A:226 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:329 or .A:330 or .A:333 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.786
PHE282
3.361
CYS285
1.713
GLN286
3.821
ARG288
3.858
SER289
3.330
ALA292
3.794
GLU295
3.465
ILE296
4.146
HIS323
2.953
ILE325
3.988
|
|||||
| Ligand Name: (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid | Ligand Info | |||||
| Structure Description | Cys285Ser mutant PPARgamma ligand-binding domain complexed with 15-deoxy-delta12,14-prostaglandin J2 | PDB:2ZVT | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [61] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGSQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTG or .PTG2 or .PTG3 or :3PTG;style chemicals stick;color identity;select .A:264 or .A:267 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE264
4.378
ILE267
4.107
ILE281
3.988
PHE282
3.615
GLY284
4.148
SER285
4.023
GLN286
3.573
ARG288
2.764
SER289
2.997
HIS323
3.522
ILE326
3.330
TYR327
2.986
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2r)-2-Benzyl-3-[4-Propoxy-3-({[4-(Pyrimidin-2-Yl)benzoyl]amino}methyl)phenyl]propanoic Acid | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt21 | PDB:3VSO | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [62] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKF 264 SKEVAIRIFQ283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY 473 KDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EK1 or .EK12 or .EK13 or :3EK1;style chemicals stick;color identity;select .A:255 or .A:259 or .A:264 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
3.904
GLU259
4.280
PHE264
3.444
ARG280
4.450
ILE281
3.796
PHE282
2.745
GLY284
3.595
CYS285
3.265
GLN286
3.525
ARG288
3.288
SER289
2.467
HIS323
2.808
ILE326
3.981
TYR327
2.634
|
|||||
| Ligand Name: (2r)-2-(4-{2-[1,3-Benzoxazol-2-Yl(Heptyl)amino]ethyl}phenoxy)-2-Methylbutanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma and the agonist LT160 (ureidofibrate derivative) | PDB:2I4J | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [63] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DRJ or .DRJ2 or .DRJ3 or :3DRJ;style chemicals stick;color identity;select .A:226 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.284
ILE281
4.708
PHE282
4.122
CYS285
3.094
GLN286
3.643
ARG288
3.659
SER289
2.883
ALA292
3.156
GLU295
4.446
ILE296
3.573
HIS323
2.574
ILE325
4.326
ILE326
3.678
TYR327
4.044
MET329
2.745
|
|||||
| Ligand Name: (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | PDB:3HOD | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [64] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZZH or .ZZH2 or .ZZH3 or :3ZZH;style chemicals stick;color identity;select .A:279 or .A:282 or .A:283 or .A:285 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:360 or .A:363 or .A:364 or .A:449 or .A:453 or .A:456 or .A:463 or .A:464 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE279
4.298
PHE282
3.046
GLN283
2.763
CYS285
3.514
GLN286
3.036
SER289
2.698
HIS323
2.795
ILE326
3.884
TYR327
4.156
LEU330
3.728
PHE360
4.808
|
|||||
| Ligand Name: (2s)-2-(4-{2-[1,3-Benzoxazol-2-Yl(Heptyl)amino]ethyl}phenoxy)-2-Methylbutanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma and the partial agonist LT127 (ureidofibrate derivative). Structure obtained from crystals of the apo-form soaked for 30 days. | PDB:2I4P | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [63] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DRH or .DRH2 or .DRH3 or :3DRH;style chemicals stick;color identity;select .A:226 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:341 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.490
ILE281
4.721
PHE282
3.507
GLY284
4.797
CYS285
3.259
GLN286
3.107
ARG288
3.340
SER289
2.445
ALA292
3.331
GLU295
4.178
ILE296
3.568
HIS323
2.694
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(Phenylsulfonyl)-4-Propoxy-3-({[4-(Pyrimidin-2-Yl)benzoyl]amino}methyl)benzamide | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75 | PDB:3WMH | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [65] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKF 264 KHKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN312 DQVTLLKYGV 322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD362 FMEPKFEFAV 372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN412 LLQALELQLK 422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD462 MSLHPLLQEI 472 YKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JJA or .JJA2 or .JJA3 or :3JJA;style chemicals stick;color identity;select .A:255 or .A:259 or .A:264 or .A:266 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
3.833
GLU259
3.768
PHE264
3.699
HIS266
3.266
ALA278
4.811
ARG280
3.617
ILE281
3.543
PHE282
3.217
GLY284
3.481
CYS285
3.362
ARG288
3.229
SER289
3.184
ALA292
4.246
ILE326
3.481
TYR327
2.696
|
|||||
| Ligand Name: (2s)-2-[4-Methoxy-3-({[4-(Trifluoromethyl)benzoyl]amino}methyl)benzyl]pentanoic Acid | Ligand Info | |||||
| Structure Description | Human PPAR GAMMA ligand binding domain in complex with JKPL35 | PDB:3VJH | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [66] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J35 or .J352 or .J353 or :3J35;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
4.428
PHE282
3.149
GLY284
3.168
CYS285
2.870
GLN286
3.300
ARG288
3.751
SER289
2.674
HIS323
2.886
ILE326
3.638
TYR327
3.680
LEU330
3.573
|
|||||
| Ligand Name: (2r)-2-Benzyl-3-(4-Propoxy-3-{[({4-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic Acid | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R | PDB:3AN4 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [67] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKS 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M7R or .M7R2 or .M7R3 or :3M7R;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:262 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.777
LEU255
3.474
GLU259
3.904
ILE262
4.043
ARG280
3.570
ILE281
3.498
PHE282
3.178
GLY284
3.694
CYS285
3.347
GLN286
3.518
ARG288
3.313
SER289
3.210
HIS323
3.059
ILE326
3.805
|
|||||
| Ligand Name: (2s)-2-Benzyl-3-(4-Propoxy-3-{[({4-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic Acid | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S | PDB:3AN3 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [67] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 SKEVAIRIFQ283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY 473 KDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M7S or .M7S2 or .M7S3 or :3M7S;style chemicals stick;color identity;select .A:255 or .A:259 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
3.857
GLU259
3.482
ARG280
3.361
ILE281
3.611
PHE282
3.193
GLY284
3.471
CYS285
3.343
GLN286
3.376
ARG288
3.305
SER289
2.742
HIS323
3.450
ILE326
4.141
TYR327
2.484
LEU330
4.165
|
|||||
| Ligand Name: 2,6-Dibromo-4-[2-(3,5-Dibromo-4-Hydroxyphenyl)propan-2-Yl]phenyl Hydrogen Sulfate | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma ligand binding domain in complex with monosulfate tetrabromo-bisphenol A (MonoTBBPA) | PDB:3PBA | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [68] |
| PDB Sequence |
LNPESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGEDKIS 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZXG or .ZXG2 or .ZXG3 or :3ZXG;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:363 or .A:364 or .A:367 or .A:449 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY284
3.979
CYS285
3.154
GLN286
2.883
ARG288
3.557
SER289
2.681
ALA292
4.576
HIS323
4.043
ILE326
3.737
TYR327
2.969
LEU330
3.206
LEU333
4.111
|
|||||
| Ligand Name: Chloro(tripropyl)-lambda4-sulfane | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma ligand binding domain in complex with tripropyltin | PDB:3PO9 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [69] |
| PDB Sequence |
LNPESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGEDKIK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XPT or .XPT2 or .XPT3 or :3XPT;style chemicals stick;color identity;select .A:281 or .A:282 or .A:285 or .A:286 or .A:289 or .A:327 or .A:330 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2r)-2-Benzyl-3-[3-({[4-(Piperidin-1-Yl)benzoyl]amino}methyl)-4-Propoxyphenyl]propanoic Acid | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt28 | PDB:3VSP | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [70] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFSKEVAIRI281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG 321 VHEIIYTMLA331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA 371 VKFNALELDD381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL 421 KLNHPESSQL431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE 471 IYKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EK8 or .EK82 or .EK83 or :3EK8;style chemicals stick;color identity;select .A:255 or .A:259 or .A:264 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.372
GLU259
3.851
PHE264
3.560
ARG280
3.264
ILE281
3.760
PHE282
3.158
GLY284
3.637
CYS285
3.263
GLN286
3.519
ARG288
3.485
SER289
2.738
HIS323
3.199
ILE326
3.947
TYR327
2.573
|
|||||
| Ligand Name: (2s)-2-(4-Propoxy-3-{[({4-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic Acid | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding domain in complex with a synthetic agonist TIPP703 | PDB:2ZNO | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [71] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 QEQSKEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY 320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF 370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ 420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ 470 EIYKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S44 or .S442 or .S443 or :3S44;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:262 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:340 or .A:341 or .A:342 or .A:348 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.404
LEU255
3.608
GLU259
4.410
ILE262
4.311
ARG280
3.697
ILE281
3.600
PHE282
3.345
GLY284
4.193
CYS285
3.288
GLN286
3.775
ARG288
3.642
SER289
2.518
HIS323
3.567
|
|||||
| Ligand Name: Difluoro(5-{2-[(5-Octyl-1h-Pyrrol-2-Yl-Kappan)methylidene]-2h-Pyrrol-5-Yl-Kappan}pentanoato)boron | Ligand Info | |||||
| Structure Description | Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with C8-BODIPY | PDB:2ZK6 | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C08 or .C082 or .C083 or :3C08;style chemicals stick;color identity;select .A:226 or .A:263 or .A:264 or .A:267 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:296 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.913
LYS263
4.000
PHE264
2.843
ILE267
3.071
ILE281
3.594
GLY284
4.735
CYS285
3.203
ARG288
3.872
SER289
3.540
ALA292
3.562
ILE296
3.385
ILE325
4.063
|
|||||
| Ligand Name: 8-Oxoicosa-5,9,11,14-tetraenoic acid | Ligand Info | |||||
| Structure Description | Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with 8-oxo-eicosatetraenoic acid | PDB:2ZK3 | ||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | No | [2] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OCX or .OCX2 or .OCX3 or :3OCX;style chemicals stick;color identity;select .A:228 or .A:266 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU228
4.268
HIS266
3.946
PHE282
3.349
CYS285
1.862
GLN286
4.883
ARG288
3.647
SER289
2.723
HIS323
3.346
ILE326
4.147
TYR327
2.856
LEU330
4.099
LEU333
3.949
|
|||||
| Ligand Name: (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | PDB:3HO0 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [64] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DKD or .DKD2 or .DKD3 or :3DKD;style chemicals stick;color identity;select .A:279 or .A:282 or .A:283 or .A:285 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:360 or .A:363 or .A:364 or .A:449 or .A:453 or .A:456 or .A:463 or .A:464 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE279
3.480
PHE282
3.422
GLN283
2.719
CYS285
3.252
GLN286
3.577
SER289
2.880
HIS323
2.946
ILE326
3.674
TYR327
3.985
LEU330
3.862
PHE360
4.413
|
|||||
| Ligand Name: (2s)-2-{4-Butoxy-3-[({4-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]benzoyl}amino)methyl]benzyl}butanoic Acid | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding domain in complex with JKPL53 | PDB:3VJI | ||||
| Method | X-ray diffraction | Resolution | 2.61 Å | Mutation | No | [66] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKS 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J53 or .J532 or .J533 or :3J53;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:340 or .A:341 or .A:342 or .A:348 or .A:363 or .A:364 or .A:449 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.998
LEU255
4.303
GLU259
3.929
ARG280
3.970
ILE281
4.457
PHE282
3.715
GLY284
3.738
CYS285
3.318
GLN286
3.672
ARG288
3.140
SER289
3.535
ALA292
4.403
HIS323
3.546
ILE326
3.821
|
|||||
| Ligand Name: 4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma LBD and the ligand AM-879 | PDB:6AN1 | ||||
| Method | X-ray diffraction | Resolution | 2.69 Å | Mutation | No | [72] |
| PDB Sequence |
LNPESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGEDKIK 263 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 D
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BKY or .BKY2 or .BKY3 or :3BKY;style chemicals stick;color identity;select .A:263 or .A:280 or .A:281 or .A:284 or .A:285 or .A:287 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS263
4.696
ARG280
4.613
ILE281
3.964
GLY284
3.336
CYS285
2.889
PHE287
4.301
ARG288
3.093
SER289
3.071
ILE326
3.353
TYR327
3.438
|
|||||
| Ligand Name: Tetrabromobisphenol A | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma ligand binding domain in complex with tetrabromo-bisphenol A (TBBPA) | PDB:3OSW | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [73] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKISK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XDI or .XDI2 or .XDI3 or :3XDI;style chemicals stick;color identity;select .A:228 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU228
4.129
GLY284
4.331
CYS285
3.475
ARG288
3.322
SER289
2.716
ALA292
4.065
ILE326
3.804
TYR327
4.471
LEU330
3.120
LEU333
3.811
|
|||||
| Ligand Name: Tetrachlorobisphenol A | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma ligand binding domain in complex with tetrachloro-bisphenol A (TCBPA) | PDB:3OSI | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [73] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XDH or .XDH2 or .XDH3 or :3XDH;style chemicals stick;color identity;select .A:228 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:363 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5z)-5-(5-Bromo-2-Methoxybenzylidene)-3-(4-Methylbenzyl)-1,3-Thiazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Crystal structure of PPAR gamma ligand binding domain in complex with a novel partial agonist GQ-16 | PDB:3T03 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [74] |
| PDB Sequence |
DLRALAKHLY
247 DSYIKSFPLT257 KAKARAILTG267 KTTDKSPFVI277 YDMNSLMMGE287 DKIKFKHIQE 300 QSKEVAIRIF310 QGCQFRSVEA320 VQEITEYAKS330 IPGFVNLDLN340 DQVTLLKYGV 350 HEIIYTMLAS360 LMNKDGVLIS370 EGQGFMTREF380 LKSLRKPFGD390 FMEPKFEFAV 400 KFNALELDDS410 DLAIFIAVII420 LSGDRPGLLN430 VKPIEDIQDN440 LLQALELQLK 450 LNHPESSQLF460 AKLLQKMTDL470 RQIVTEHVQL480 LQVIKKTETD490 MSLHPLLQEI 500 YKDLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3T0 or .3T02 or .3T03 or :33T0;style chemicals stick;color identity;select .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:317 or .A:320 or .A:354 or .A:355 or .A:357 or .A:358 or .A:361 or .A:367 or .A:369 or .A:376 or .A:381 or .A:384 or .A:388 or .A:391 or .A:392 or .A:395; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA306
4.989
ILE309
3.286
PHE310
4.170
CYS313
2.667
ARG316
3.382
SER317
3.279
ALA320
3.515
ILE354
3.202
TYR355
3.667
MET357
3.988
LEU358
3.825
|
|||||
| Ligand Name: 1-(3,4-Dichlorobenzyl)-2-Methyl-N-[(1r)-1-Phenylpropyl]-1h-Benzimidazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Ligand binding domain of PPARgamma complexed with a benzimidazole partial agonist | PDB:3S9S | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [75] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKSPFVIYD251 MNSLMMGEDK261 IKFKHITKEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETMSLHPL468 LQEIYKDL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M0T or .M0T2 or .M0T3 or :3M0T;style chemicals stick;color identity;select .A:262 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
4.059
ILE281
3.565
PHE282
3.479
GLY284
3.643
CYS285
3.515
GLN286
3.667
ARG288
3.750
SER289
2.751
HIS323
3.392
ILE326
3.622
TYR327
3.005
LEU330
3.295
LEU333
3.713
|
|||||
| Ligand Name: (9as)-8-Acetyl-N-[(2-Ethylnaphthalen-1-Yl)methyl]-1,7-Dihydroxy-3-Methoxy-9a-Methyl-9-Oxo-9,9a-Dihydrodibenzo[b,D]furan-4-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator Cerco-A | PDB:3B1M | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [76] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDLY 477
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KRC or .KRC2 or .KRC3 or :3KRC;style chemicals stick;color identity;select .A:262 or .A:280 or .A:281 or .A:284 or .A:285 or .A:287 or .A:288 or .A:289 or .A:292 or .A:326 or .A:330 or .A:334 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
3.366
ARG280
4.655
ILE281
3.917
GLY284
3.213
CYS285
3.168
PHE287
3.209
ARG288
3.396
SER289
3.086
ALA292
4.915
ILE326
3.815
LEU330
3.591
|
|||||
| Ligand Name: Methyl 3-{4-[({[(9as)-8-Acetyl-1,7-Dihydroxy-3-Methoxy-9a-Methyl-9-Oxo-9,9a-Dihydrodibenzo[b,D]furan-4-Yl]carbonyl}amino)methyl]naphthalen-2-Yl}propanoate | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | PDB:3V9V | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [77] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDLY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .21L or .21L2 or .21L3 or :321L;style chemicals stick;color identity;select .A:262 or .A:280 or .A:281 or .A:284 or .A:285 or .A:287 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
3.609
ARG280
2.580
ILE281
3.742
GLY284
3.270
CYS285
3.394
PHE287
3.536
ARG288
3.320
SER289
3.782
HIS323
3.544
ILE326
3.131
TYR327
3.364
LEU330
3.801
|
|||||
| Ligand Name: (9as)-8-Acetyl-N-[(3-Ethoxynaphthalen-1-Yl)methyl]-1,7-Dihydroxy-3-Methoxy-9a-Methyl-9-Oxo-9,9a-Dihydrodibenzo[b,D]furan-4-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | PDB:3V9T | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [77] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKISKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETSLHPL468 LQEIYKDL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .17L or .17L2 or .17L3 or :317L;style chemicals stick;color identity;select .A:262 or .A:280 or .A:281 or .A:284 or .A:285 or .A:287 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
3.762
ARG280
4.940
ILE281
3.952
GLY284
3.330
CYS285
3.525
PHE287
3.574
ARG288
3.324
SER289
2.766
HIS323
4.221
ILE326
3.651
TYR327
4.485
LEU330
3.537
|
|||||
| Ligand Name: 3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with compound 3g | PDB:6IZN | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [78] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN312 DQVTLLKYGV 322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD362 FMEPKFEFAV 372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN412 LLQALELQLK 422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD462 MSLHPLLQEI 472 YKDLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B1O or .B1O2 or .B1O3 or :3B1O;style chemicals stick;color identity;select .A:249 or .A:255 or .A:258 or .A:259 or .A:262 or .A:264 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
3.531
LEU255
3.988
GLY258
3.829
GLU259
3.986
ILE262
4.411
PHE264
3.508
ARG280
3.480
ILE281
3.216
GLY284
3.547
CYS285
3.515
ARG288
3.845
SER289
3.354
|
|||||
| Ligand Name: 3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with compound 1l | PDB:6IZM | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [78] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPKEVAIRI281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG 321 VHEIIYTMLA331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA 371 VKFNALELDD381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL 421 KLNHPESSQL431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE 471 IYKDLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B0X or .B0X2 or .B0X3 or :3B0X;style chemicals stick;color identity;select .A:249 or .A:255 or .A:258 or .A:259 or .A:262 or .A:264 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
3.486
LEU255
4.225
GLY258
3.748
GLU259
4.041
ILE262
4.240
PHE264
3.638
ARG280
3.312
ILE281
3.642
GLY284
3.503
CYS285
3.557
ARG288
3.755
SER289
3.206
|
|||||
| Ligand Name: 3-[[6-(3,5-Dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with compound DS-6930 | PDB:5Z6S | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [79] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKISKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RTF or .RTF2 or .RTF3 or :3RTF;style chemicals stick;color identity;select .A:249 or .A:255 or .A:258 or .A:259 or .A:262 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
3.629
LEU255
3.509
GLY258
3.522
GLU259
3.514
ILE262
4.156
ARG280
3.550
ILE281
3.633
GLY284
3.443
CYS285
3.478
ARG288
3.861
SER289
3.383
ILE326
4.406
|
|||||
| Ligand Name: 3-{[6-(4-Chloro-3-fluorophenoxy)-1-methyl-1h-benzimidazol-2-yl]methoxy}benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with compound 13ab | PDB:5Z5S | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [80] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKISKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RTE or .RTE2 or .RTE3 or :3RTE;style chemicals stick;color identity;select .A:249 or .A:255 or .A:258 or .A:259 or .A:262 or .A:280 or .A:281 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
3.501
LEU255
3.813
GLY258
3.433
GLU259
3.313
ILE262
4.099
ARG280
3.484
ILE281
3.624
GLY284
3.332
CYS285
3.417
GLN286
4.874
ARG288
3.897
SER289
3.421
|
|||||
| Ligand Name: 2-[4-[5-[(1~{r})-1-[(3,5-Dimethoxyphenyl)carbamoyl-(Phenylmethyl)carbamoyl]oxypropyl]-1,2-Oxazol-3-Yl]phenoxy]-2-Methyl-Propanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with R35 | PDB:5GTN | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [25] |
| PDB Sequence |
DQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEDK 261 IKFKHITSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q35 or .Q352 or .Q353 or :3Q35;style chemicals stick;color identity;select .A:255 or .A:259 or .A:262 or .A:263 or .A:264 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
3.778
GLU259
4.073
ILE262
3.742
LYS263
3.158
PHE264
3.555
ARG280
3.517
ILE281
3.539
PHE282
3.696
GLY284
3.500
CYS285
3.532
GLN286
3.626
PHE287
3.797
ARG288
3.565
SER289
2.793
HIS323
2.773
ILE326
3.756
TYR327
4.237
|
|||||
| Ligand Name: (9aS)-8-Acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | PDB:3LMP | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [81] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFEQ 273 SKEVAIRIFQ283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY 473 KDLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CEK or .CEK2 or .CEK3 or :3CEK;style chemicals stick;color identity;select .A:262 or .A:263 or .A:280 or .A:281 or .A:284 or .A:285 or .A:287 or .A:288 or .A:289 or .A:326 or .A:330 or .A:334 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
3.312
LYS263
3.092
ARG280
4.450
ILE281
4.058
GLY284
3.327
CYS285
3.377
PHE287
3.352
ARG288
3.089
SER289
3.327
ILE326
4.842
LEU330
3.707
|
|||||
| Ligand Name: (9as)-8-Acetyl-N-[(2-Ethyl-4-Fluoronaphthalen-1-Yl)methyl]-1,7-Dihydroxy-3-Methoxy-9a-Methyl-9-Oxo-9,9a-Dihydrodibenzo[b,D]furan-4-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | PDB:4F9M | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [82] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FCM or .FCM2 or .FCM3 or :3FCM;style chemicals stick;color identity;select .A:262 or .A:263 or .A:280 or .A:281 or .A:283 or .A:284 or .A:285 or .A:287 or .A:288 or .A:289 or .A:292 or .A:326 or .A:330 or .A:334 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
3.266
LYS263
3.086
ARG280
4.650
ILE281
3.533
GLN283
4.678
GLY284
3.151
CYS285
3.183
PHE287
3.280
ARG288
3.273
SER289
3.136
ALA292
4.963
ILE326
3.804
LEU330
3.713
|
|||||
| Ligand Name: 2-[4-[5-[(1~{s})-1-[(3,5-Dimethoxyphenyl)carbamoyl-(Phenylmethyl)carbamoyl]oxypropyl]-1,2-Oxazol-3-Yl]phenoxy]-2-Methyl-Propanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with S35 | PDB:5GTO | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [25] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLKEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY 320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF 370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ 420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ 470 EIYKDLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T35 or .T352 or .T353 or :3T35;style chemicals stick;color identity;select .A:255 or .A:259 or .A:262 or .A:263 or .A:264 or .A:267 or .A:268 or .A:269 or .A:270 or .A:280 or .A:281 or .A:283 or .A:284 or .A:285 or .A:287 or .A:288 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
3.890
GLU259
3.121
ILE262
3.311
LYS263
4.572
PHE264
3.657
ILE267
3.509
THR268
3.359
PRO269
3.363
LEU270
2.726
ARG280
3.308
ILE281
3.644
GLN283
3.259
GLY284
3.698
|
|||||
| Ligand Name: 4-{4-[({[(9as)-8-Acetyl-1,7-Dihydroxy-3-Methoxy-9a-Methyl-9-Oxo-9,9a-Dihydrodibenzo[b,D]furan-4-Yl]carbonyl}amino)methyl]naphthalen-2-Yl}butanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with a cercosporamide derivative modulator | PDB:3V9Y | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [77] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .24L or .24L2 or .24L3 or :324L;style chemicals stick;color identity;select .A:255 or .A:262 or .A:263 or .A:280 or .A:281 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:323 or .A:326 or .A:330 or .A:334 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.947
ILE262
3.379
LYS263
3.217
ARG280
2.740
ILE281
3.873
GLY284
3.090
CYS285
3.244
GLN286
4.193
PHE287
3.211
ARG288
3.340
SER289
2.703
HIS323
2.945
ILE326
4.796
LEU330
3.586
MET334
3.587
|
|||||
| Ligand Name: N-[[3-[[(1S,2R)-2-[[(E)-2-cyano-4,4-dimethylpent-2-enoyl]amino]cyclopentyl]oxymethyl]phenyl]methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding domain complexed with SB1495 | PDB:6IJR | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [83] |
| PDB Sequence |
ISSDIDQLNP
206 ESADLRALAK216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM 256 MGEDKIKFKH266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF 306 VNLDLNDQVT316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL 356 RKPFGDFMEP366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI 406 EDIQDNLLQA416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI 456 KKTETDMSLH466 PLLQEIYKDL476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A9C or .A9C2 or .A9C3 or :3A9C;style chemicals stick;color identity;select .A:249 or .A:255 or .A:258 or .A:259 or .A:264 or .A:266 or .A:267 or .A:268 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.872
LEU255
4.004
GLY258
4.533
GLU259
3.800
PHE264
4.048
HIS266
3.613
ILE267
4.571
THR268
3.523
ARG280
4.805
ILE281
3.130
PHE282
2.807
GLY284
3.805
CYS285
1.781
ARG288
3.349
SER289
3.586
ALA292
4.451
|
|||||
| Ligand Name: 3-(4-Methoxyphenyl)-N-(Phenylsulfonyl)-1-[3-(Trifluoromethyl)benzyl]-1h-Indole-2-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of PPAR Gamma with N-sulfonyl-2-indole carboxamide ligands | PDB:2HFP | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [84] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 HITPLQEQSK275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV 315 TLLKYGVHEI325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME 365 PKFEFAVKFN375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ 415 ALELQLKLNH425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL 465 HPLLQEIYKD475 LY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NSI or .NSI2 or .NSI3 or :3NSI;style chemicals stick;color identity;select .A:255 or .A:259 or .A:262 or .A:265 or .A:266 or .A:270 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:291 or .A:292 or .A:323 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:452 or .A:453 or .A:456 or .A:463 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
3.911
GLU259
3.296
ILE262
3.980
LYS265
2.584
HIS266
3.491
LEU270
4.895
ALA278
3.266
ARG280
4.089
ILE281
3.480
PHE282
3.834
GLY284
3.238
CYS285
3.284
GLN286
3.051
PHE287
4.203
ARG288
3.530
SER289
3.700
GLU291
4.339
ALA292
3.451
HIS323
3.256
ILE326
3.692
TYR327
3.403
MET329
3.723
LEU330
3.298
LEU333
3.716
VAL339
3.773
LEU340
3.908
ILE341
3.482
SER342
3.128
GLU343
4.741
MET348
3.948
LEU353
3.900
LEU356
4.096
PHE360
3.222
PHE363
3.239
MET364
3.767
LYS367
2.725
HIS449
2.860
LEU452
3.220
LEU453
3.455
ILE456
4.044
MET463
4.458
LEU465
4.293
LEU469
3.012
TYR473
3.244
|
|||||
| Ligand Name: 2-Ethyl-5,7-Dimethyl-3-{(1s)-5-[2-(1h-Tetrazol-5-Yl)phenyl]-2,3-Dihydro-1h-Inden-1-Yl}-3h-Imidazo[4,5-B]pyridine | Ligand Info | |||||
| Structure Description | X-ray crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a compound with dual PPAR gamma agonism and Angiotensin II Type I receptor antagonism activity | PDB:3R8A | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [85] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKDKSPFV248 IYDMNSLMMG258 EDKISKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 Q |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HIG or .HIG2 or .HIG3 or :3HIG;style chemicals stick;color identity;select .A:255 or .A:281 or .A:284 or .A:285 or .A:287 or .A:288 or .A:289 or .A:292 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.544
ILE281
3.597
GLY284
3.428
CYS285
3.461
PHE287
4.810
ARG288
2.801
SER289
3.353
ALA292
4.102
ILE326
3.654
TYR327
4.245
LEU330
3.571
|
|||||
| Ligand Name: 5-Benzyl-2-Ethyl-3-{(1s)-5-[2-(1h-Tetrazol-5-Yl)phenyl]-2,3-Dihydro-1h-Inden-1-Yl}-3,5-Dihydro-4h-Imidazo[4,5-C]pyridin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma in complex with compound 13 | PDB:4HEE | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [86] |
| PDB Sequence |
ADLRALAKHL
218 YDSYIKSFPL228 TKAKARAILT238 GKKSPFVIYD251 MNSLMMGEDK261 EVAIRIFQGC 285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI325 IYTMLASLMN 335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN375 ALELDDSDLA 385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH425 PESSQLFAKL 435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD475 L |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .14R or .14R2 or .14R3 or :314R;style chemicals stick;color identity;select .X:255 or .X:259 or .X:261 or .X:280 or .X:281 or .X:284 or .X:285 or .X:286 or .X:288 or .X:289 or .X:292 or .X:323 or .X:326 or .X:327 or .X:330 or .X:333 or .X:334 or .X:339 or .X:340 or .X:341 or .X:342 or .X:343 or .X:348 or .X:353 or .X:363 or .X:364 or .X:367 or .X:446 or .X:449 or .X:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.713
GLU259
4.200
LYS261
4.786
ARG280
4.686
ILE281
3.223
GLY284
2.676
CYS285
2.833
GLN286
4.580
ARG288
3.103
SER289
3.016
ALA292
4.466
HIS323
2.690
ILE326
2.904
TYR327
2.688
LEU330
3.047
|
|||||
| Ligand Name: 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid | Ligand Info | |||||
| Structure Description | PPARg LBD bound to SR10171 | PDB:6C5Q | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [26] |
| PDB Sequence |
HHHGSHMESA
209 DLRALAKHLY219 DSYIKSFPLT229 KAKARAILTG239 KTTDKSPFVI249 YDMNSLMMGE 259 DKIKFKHITP269 LQEQSKEVAI279 RIFQGQFRSV290 EAVQEITEYA300 KSIPGFVNLD 310 LNDQVTLLKY320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF 360 GDFMEPKFEF370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ 410 DNLLQALELQ420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE 460 TDMSLHPLLQ470 EIYKDLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EKS or .EKS2 or .EKS3 or :3EKS;style chemicals stick;color identity;select .A:247 or .A:249 or .A:255 or .A:258 or .A:259 or .A:261 or .A:262 or .A:264 or .A:265 or .A:266 or .A:268 or .A:279 or .A:280 or .A:281 or .A:283 or .A:284 or .A:287 or .A:288 or .A:289 or .A:292 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:345 or .A:346 or .A:348 or .A:364 or .A:465 or .A:469 or .A:473 or .A:477; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE247
3.740
ILE249
3.989
LEU255
4.232
GLY258
3.242
GLU259
3.610
LYS261
4.269
ILE262
3.233
PHE264
3.480
LYS265
3.259
HIS266
2.710
THR268
4.768
ILE279
3.680
ARG280
3.048
ILE281
4.206
GLN283
3.302
GLY284
3.473
PHE287
3.540
ARG288
2.571
|
|||||
| Ligand Name: 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide | Ligand Info | |||||
| Structure Description | PPARg LBD in Complex with SR1988 | PDB:6D3E | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [87] |
| PDB Sequence |
SHMESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGEDKIQ 273 SKEVAIRIFQ283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY 473 KDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FT7 or .FT72 or .FT73 or :3FT7;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:322 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
4.311
PHE282
3.957
GLY284
3.917
CYS285
2.897
GLN286
3.685
ARG288
3.640
SER289
2.396
VAL322
4.933
HIS323
3.366
ILE326
3.690
TYR327
3.215
LEU330
3.542
LEU333
3.729
|
|||||
| Ligand Name: 2-chloro-N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) | PDB:8AQN | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [88] |
| PDB Sequence |
MQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEDK 261 IKFKHITPLQ271 EQSKEVAIRI281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL 311 NDQVTLLKYG321 VHEIIYTMLA331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG 361 DFMEPKFEFA371 VKFNALELDD381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD 411 NLLQALELQL421 KLNHPESSQL431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET 461 DMSLHPLLQE471 IYKDLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O0U or .O0U2 or .O0U3 or :3O0U;style chemicals stick;color identity;select .A:281 or .A:282 or .A:285 or .A:286 or .A:319 or .A:320 or .A:323 or .A:327 or .A:363 or .A:364 or .A:367 or .A:446 or .A:449 or .A:450 or .A:473 or .A:474 or .A:476 or .A:477; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-chloro-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) | PDB:8AQM | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [88] |
| PDB Sequence |
MQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 MSLHPLLQEI472 YKDLY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O2O or .O2O2 or .O2O3 or :3O2O;style chemicals stick;color identity;select .A:281 or .A:282 or .A:285 or .A:286 or .A:319 or .A:320 or .A:323 or .A:327 or .A:363 or .A:364 or .A:367 or .A:446 or .A:449 or .A:452 or .A:473 or .A:474 or .A:476 or .A:477; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Sulindac sulfide | Ligand Info | |||||
| Structure Description | PPARgamma ligand binding domain in complex with sulindac sulfide | PDB:4XUH | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [89] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 SKEVAIRIFQ283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY 473 KDLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SFI or .SFI2 or .SFI3 or :3SFI;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:264 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:356 or .A:360 or .A:361 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.888
LEU255
4.015
GLU259
3.686
PHE264
3.356
ALA278
4.340
ARG280
3.564
ILE281
3.563
PHE282
3.386
GLY284
3.799
CYS285
3.347
GLN286
3.627
ARG288
3.829
SER289
2.873
HIS323
2.593
ILE326
3.747
TYR327
3.188
LEU330
4.036
VAL339
4.256
|
|||||
| Ligand Name: N-{3-[(4-methylbenzyl)oxy]benzyl}-2H-tetrazol-5-amine | Ligand Info | |||||
| Structure Description | Human PPAR Gamma LBD in Complex with Tetrazole Compound N-{3-[(4-methylbenzyl)oxy]benzyl}-2H-tetrazol-5-amine. | PDB:7LOT | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [90] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Y9A or .Y9A2 or .Y9A3 or :3Y9A;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,4-Thiazolidiinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-(9CL) | Ligand Info | |||||
| Structure Description | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG)in complex with rosiglitazone | PDB:7AWC | ||||
| Method | X-ray diffraction | Resolution | 1.74 Å | Mutation | No | [91] |
| PDB Sequence |
SMQLNPESAD
210 LRALAKHLYD220 SYIKSFPLTK230 AKARAILTGK240 TTDKSPFVIY250 DMNSLMMGED 260 KIKLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BRL or .BRL2 or .BRL3 or :3BRL;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.868
PHE282
3.325
GLY284
3.932
CYS285
3.444
GLN286
4.159
ARG288
4.131
SER289
2.755
HIS323
2.720
ILE326
4.170
TYR327
3.595
LEU330
3.784
VAL339
3.866
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG)in complex with garcinoic acid | PDB:7AWD | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [91] |
| PDB Sequence |
SMQLNPESAD
210 LRALAKHLYD220 SYIKSFPLTK230 AKARAILTGK240 TTDKSPFVIY250 DMNSLMMGED 260 KIKFPLQEQS274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ 314 VTLLKYGVHE324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM 364 EPKFEFAVKF374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL 414 QALELQLKLN424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS 464 LHPLLQEIYK474 DL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NQD or .NQD2 or .NQD3 or :3NQD;style chemicals stick;color identity;select .A:226 or .A:227 or .A:228 or .A:249 or .A:255 or .A:258 or .A:259 or .A:262 or .A:263 or .A:264 or .A:273 or .A:277 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:291 or .A:292 or .A:295 or .A:296 or .A:323 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
4.087
PRO227
2.954
LEU228
3.386
ILE249
3.983
LEU255
4.325
GLY258
4.101
GLU259
3.150
ILE262
2.543
LYS263
3.757
PHE264
3.657
GLN273
3.237
VAL277
4.780
ARG280
3.428
ILE281
3.604
PHE282
3.871
GLY284
4.067
CYS285
3.249
GLN286
3.469
ARG288
2.585
SER289
3.299
GLU291
4.621
ALA292
3.801
GLU295
2.945
ILE296
4.908
HIS323
3.313
ILE326
3.526
TYR327
3.629
MET329
3.653
LEU330
3.875
LEU333
3.231
VAL339
4.160
LEU340
3.031
ILE341
3.553
SER342
2.838
GLU343
3.778
MET348
4.091
LEU353
4.384
PHE363
3.833
MET364
3.766
LYS367
4.575
HIS449
3.191
LEU453
4.197
LEU469
3.838
TYR473
2.643
|
|||||
| Ligand Name: (5r)-5-(3-{[3-(6-Methoxy-1,2-Benzoxazol-3-Yl)-2-Oxo-2,3-Dihydro-1h-Benzimidazol-1-Yl]methyl}phenyl)-5-Methyl-1,3-Oxazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Structure of PPARgamma ligand binding domain in complex with (R)-5-(3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)phenyl)-5-methyloxazolidine-2,4-dione | PDB:3TY0 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [92] |
| PDB Sequence |
GSQLNPESAD
210 LRALAKHLYD220 SYIKSFPLTK230 AKARAILTGK240 TTDKSPFVIY250 DMNSLMMGED 260 KIKFKHITPL270 QEQSKEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD 310 LNDQVTLLKY320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF 360 GDFMEPKFEF370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ 410 DNLLQALELQ420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE 460 TDMSLHPLLQ470 EIYKDLY
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .082 or .0822 or .0823 or :3082;style chemicals stick;color identity;select .A:226 or .A:264 or .A:265 or .A:266 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:295 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.825
PHE264
4.676
LYS265
4.768
HIS266
2.736
ILE281
4.124
GLY284
3.130
CYS285
3.398
ARG288
3.270
SER289
3.708
ALA292
3.186
GLU295
4.615
ILE326
3.674
TYR327
4.323
|
|||||
| Ligand Name: (2r)-2-(4-Chloro-3-{[3-(6-Methoxy-1,2-Benzisoxazol-3-Yl)-2-Methyl-6-(Trifluoromethoxy)-1h-Indol-1-Yl]methyl}phenoxy)propanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human PPAR-gamma-ligand binding domain complexed with an indole-based modulator | PDB:2P4Y | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [93] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTKSPFVI249 YDMNSIRIFQ283 GCQFRSVEAV 293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH323 EIIYTMLASL333 MNKDGVLISE 343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK373 FNALELDDSD383 LAIFIAVIIL 393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL423 NHPESSQLFA433 KLLQKMTDLR 443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY473 KDLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C03 or .C032 or .C033 or :3C03;style chemicals stick;color identity;select .A:226 or .A:281 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.534
ILE281
3.889
GLY284
3.635
CYS285
3.440
GLN286
4.983
PHE287
4.514
ARG288
3.501
SER289
2.980
ALA292
3.577
GLU295
4.004
ILE296
3.510
ILE325
4.941
ILE326
3.493
TYR327
3.313
|
|||||
| Ligand Name: (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma in complex with compound TK90 | PDB:7A7H | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [94] |
| PDB Sequence |
SMQLNPESAD
210 LRALAKHLYD220 SYIKSFPLTK230 AKARAILTGK240 TTDKSPFVIY250 DMNSLMMGSK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTESLHPL468 LQEIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TK9 or .TK92 or .TK93 or :3TK9;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.372
PHE282
3.917
GLY284
3.547
CYS285
2.979
GLN286
4.015
ARG288
3.425
SER289
2.776
HIS323
2.911
ILE326
3.582
TYR327
3.595
LEU330
3.748
VAL339
3.225
|
|||||
| Ligand Name: N-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma in complex with compound FL217 | PDB:7P4E | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [95] |
| PDB Sequence |
SMQLNPESAD
210 LRALAKHLYD220 SYIKSFPLTK230 AKARAILTGK240 TTDKSPFVIY250 DMNSLMMGES 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTELHPL468 LQEIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5IV or .5IV2 or .5IV3 or :35IV;style chemicals stick;color identity;select .A:249 or .A:258 or .A:259 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
3.573
GLY258
3.551
GLU259
4.799
ILE281
4.279
PHE282
4.215
GLY284
3.576
CYS285
3.044
GLN286
4.633
ARG288
3.477
SER289
3.133
HIS323
3.407
ILE326
4.065
TYR327
3.053
|
|||||
| Ligand Name: (2S)-(4-Isopropylphenyl)[(2-methyl-3-oxo-5,7-dipropyl-2,3-dihydro-1,2-benzisoxazol-6-YL)oxy]acetate | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with an Alpha-Aryloxyphenylacetic Acid Agonist | PDB:1ZEO | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [96] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKEQS 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C01 or .C012 or .C013 or :3C01;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA278
3.502
ILE281
3.894
PHE282
3.168
CYS285
2.827
GLN286
3.919
ARG288
3.831
SER289
2.683
ALA292
4.004
HIS323
2.852
ILE326
3.312
TYR327
4.067
LEU330
3.145
|
|||||
| Ligand Name: (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma in complex with compound (R)-16 | PDB:6Y3U | ||||
| Method | X-ray diffraction | Resolution | 2.62 Å | Mutation | No | [97] |
| PDB Sequence |
SMQLNPESAD
210 LRALAKHLYD220 SYIKSFPLTK230 AKARAILTGK240 TTDKSPFVIY250 DMNSLMMGED 260 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MLQ or .MLQ2 or .MLQ3 or :3MLQ;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:333 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA278
4.132
ILE281
4.039
PHE282
3.622
GLY284
4.009
CYS285
3.627
GLN286
4.775
ARG288
3.245
SER289
3.352
ILE326
4.162
TYR327
3.376
LEU330
3.842
LEU333
4.582
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Tetrac | Ligand Info | |||||
| Structure Description | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG) in complex with TETRAC | PDB:6TSG | ||||
| Method | X-ray diffraction | Resolution | 2.98 Å | Mutation | No | [98] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T4A or .T4A2 or .T4A3 or :3T4A;style chemicals stick;color identity;select .A:228 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU228
4.866
GLY284
4.162
CYS285
3.316
GLN286
4.474
ARG288
3.476
SER289
3.477
ALA292
4.804
ILE326
4.460
TYR327
2.657
LEU330
2.953
LEU333
4.155
|
|||||
| Ligand Name: Triphenyltin hydride | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma ligand binding domain in complex with triphenyltin | PDB:3WJ5 | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [99] |
| PDB Sequence |
GSESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKKSPF247 VIYDMNSLMM257 GEDKISKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKDL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T9T or .T9T2 or .T9T3 or :3T9T;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:289 or .A:326 or .A:327 or .A:330 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA278
4.837
ILE281
3.971
PHE282
3.131
CYS285
2.690
GLN286
3.363
SER289
3.703
ILE326
3.977
TYR327
2.801
LEU330
3.832
LEU353
4.364
|
|||||
| Ligand Name: 5-[4-[3-[5-Methyl-2-phenyl-4-oxazolyl]propanoyl]benzylidene]thiazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Darglitazone | PDB:6DGL | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [17] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GEV or .GEV2 or .GEV3 or :3GEV;style chemicals stick;color identity;select .A:264 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE264
3.488
ARG280
4.072
ILE281
3.850
PHE282
3.052
GLY284
3.691
CYS285
3.214
GLN286
3.213
ARG288
4.324
SER289
2.696
HIS323
2.549
ILE326
3.948
TYR327
3.624
LEU330
3.649
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (4s,5e,7z,10z,13z,16z,19z)-4-Hydroxydocosa-5,7,10,13,16,19-Hexaenoic Acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with 4-HDHA | PDB:2VV1 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [8] |
| PDB Sequence |
> Chain A
PESADLRALA 215 KHLYDSYIKS225 FPLTKAKARA235 ILTGTTDKSP246 FVIYDMNSLM256 MGEDKIEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKD > Chain B SDLRALAKHL 218 YDSYIKSFPL228 TKAKARAILT238 GKDKSPFVIY250 DMNSLMMGEV277 AIRIFQGCQF 287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY327 TMLASLMNKD 337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL377 ELDDSDLAIF 387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE427 SSQLFAKLLQ 437 KMTDLRQIVT447 EHVQLLQVIK457 KTPLLQEIY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4HD or .4HD2 or .4HD3 or :34HD;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473 or .B:281 or .B:284 or .B:285 or .B:287 or .B:288 or .B:289 or .B:291 or .B:292 or .B:326 or .B:329 or .B:330 or .B:333 or .B:339 or .B:340 or .B:341 or .B:342 or .B:348 or .B:353 or .B:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281[A]
4.238
PHE282[A]
2.962
GLY284[A]
3.953
CYS285[A]
3.102
GLN286[A]
3.280
ARG288[A]
4.270
SER289[A]
3.191
HIS323[A]
2.785
ILE326[A]
4.047
TYR327[A]
4.161
LEU330[A]
3.372
VAL339[A]
4.624
ILE341[A]
3.820
SER342[A]
4.736
MET348[A]
4.125
LEU353[A]
4.823
PHE363[A]
4.257
MET364[A]
3.589
LYS367[A]
4.387
HIS449[A]
3.085
LEU453[A]
4.104
LEU469[A]
3.614
TYR473[A]
2.759
ILE281[B]
3.928
GLY284[B]
4.323
CYS285[B]
3.582
PHE287[B]
4.018
ARG288[B]
3.033
SER289[B]
3.685
GLU291[B]
3.531
ALA292[B]
4.244
ILE326[B]
3.228
MET329[B]
3.852
LEU330[B]
3.640
LEU333[B]
4.633
VAL339[B]
3.699
LEU340[B]
4.191
ILE341[B]
3.817
SER342[B]
3.074
MET348[B]
4.272
LEU353[B]
4.396
MET364[B]
3.593
|
|||||
| Ligand Name: (9Z,12Z,15Z,18Z,21Z)-5-oxidanylidenetetracosa-9,12,15,18,21-pentaen-6-ynoic acid | Ligand Info | |||||
| Structure Description | Covalent bond formation between ynone moiety of synthetic fatty acid and hPPARg-LBD | PDB:6JEY | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [100] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTDKSPF247 VIYDMNSLMM257 GEDKIKKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EJL or .EJL2 or .EJL3 or :3EJL;style chemicals stick;color identity;select .A:226 or .A:227 or .A:228 or .A:229 or .A:263 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:291 or .A:292 or .A:295 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.813
PRO227
3.596
LEU228
2.745
THR229
4.861
LYS263
4.684
ILE281
3.488
PHE282
3.449
GLY284
3.435
CYS285
1.664
GLN286
2.874
PHE287
4.899
ARG288
2.616
SER289
3.120
GLU291
4.190
ALA292
4.619
GLU295
3.569
ILE326
2.822
TYR327
3.646
|
|||||
| Ligand Name: (5S)-5-[[4-[2-[[7-(diethylamino)-2-oxidanylidene-chromen-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Crystal structure of hPPARgamma ligand binding domain complexed with rosiglitazone-based fluorescence probe | PDB:7EFQ | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [101] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGTTDKSPF247 VIYDMNSLMM257 GEDKIKKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J3F or .J3F2 or .J3F3 or :3J3F;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:277 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.136
LEU255
2.166
GLU259
2.884
VAL277
4.045
ARG280
2.814
ILE281
1.885
PHE282
2.885
GLY284
2.706
CYS285
2.349
GLN286
2.140
PHE287
4.253
ARG288
2.703
SER289
1.923
HIS323
1.801
ILE326
2.908
TYR327
2.035
LEU330
3.152
|
|||||
| Ligand Name: (7e,11z,14z,17z,20z)-5-Oxotricosa-7,11,14,17,20-Pentaenoic Acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with 5-oxo-tricosahexaenoic acid | PDB:3X1H | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [102] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5OX or .5OX2 or .5OX3 or :35OX;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:289 or .A:323 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
4.041
PHE282
4.805
GLY284
3.801
CYS285
1.765
GLN286
4.417
PHE287
4.872
SER289
3.017
HIS323
2.699
TYR327
3.765
LEU330
4.748
VAL339
4.040
|
|||||
| Ligand Name: (8e,10s,12z)-10-Hydroxy-6-Oxooctadeca-8,12-Dienoic Acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with 6-oxoOTE | PDB:2VV4 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [8] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGTTDKSP246 FVIYDMQSLM256 MGEDKEVAIR 280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY320 GVHEIIYTML 330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF370 AVKFNALELD 380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ420 LKLNHPESSQ 430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTP467 LLQEIYK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6OB or .6OB2 or .6OB3 or :36OB;style chemicals stick;color identity;select .B:280 or .B:281 or .B:284 or .B:285 or .B:288 or .B:289 or .B:292 or .B:295 or .B:326 or .B:327 or .B:329 or .B:330 or .B:333 or .B:339 or .B:341 or .B:348 or .B:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (8r,9z,12z)-8-Hydroxy-6-Oxooctadeca-9,12-Dienoic Acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with 6-oxoOTE | PDB:2VV4 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [8] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGTDKSP246 FVIYDMNSLM256 MGEDEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6OC or .6OC2 or .6OC3 or :36OC;style chemicals stick;color identity;select .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:340 or .A:341 or .A:342 or .A:343 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (8e,12z,15z,18z,21z)-6-Oxotetracosa-8,12,15,18,21-Pentaenoic Acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with 6-oxo-tetracosahexaenoic acid | PDB:3X1I | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [102] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGTTDKSP246 FVIYDMNSLM256 MGEDKIKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .66B or .66B2 or .66B3 or :366B;style chemicals stick;color identity;select .A:228 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU228
4.276
GLY284
3.950
CYS285
1.757
GLN286
4.618
ARG288
2.691
SER289
3.010
HIS323
2.643
ILE326
3.927
TYR327
3.495
LEU330
3.264
LEU333
3.962
VAL339
4.659
|
|||||
| Ligand Name: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10506 | PDB:6DGQ | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [17] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GBV or .GBV2 or .GBV3 or :3GBV;style chemicals stick;color identity;select .A:249 or .A:255 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.982
LEU255
3.729
ARG280
4.006
ILE281
4.268
PHE282
3.018
GLY284
3.579
CYS285
3.110
GLN286
4.210
ARG288
4.894
SER289
2.736
HIS323
2.504
ILE326
4.617
TYR327
4.044
|
|||||
| Ligand Name: (4~{z},7~{z},10~{z},13~{z},19~{z})-17-Oxidanylidenedocosa-4,7,10,13,19-Pentaenoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of hPPARgamma ligand binding domain complexed with 17-oxoDHA | PDB:5AZV | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [103] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTDKSPF247 VIYDMNSLMM257 GEDKIKKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKDLY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4M5 or .4M52 or .4M53 or :34M5;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:291 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.925
PHE282
3.367
GLY284
3.696
CYS285
1.766
GLN286
2.830
PHE287
4.449
ARG288
3.388
SER289
3.180
GLU291
4.999
ILE326
4.392
TYR327
4.469
LEU330
4.228
VAL339
3.405
|
|||||
| Ligand Name: 2-Chloro-N-(6-methoxy-4-quinolinyl)-5-nitrobenzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with SR16832 | PDB:6AUG | ||||
| Method | X-ray diffraction | Resolution | 2.73 Å | Mutation | No | [30] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BXG or .BXG2 or .BXG3 or :3BXG;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE282
3.737
CYS285
1.531
GLN286
3.355
ARG288
3.453
SER289
3.132
ALA292
4.718
HIS323
3.564
ILE326
3.695
TYR327
3.444
LEU330
3.392
LEU333
4.099
VAL339
4.163
|
|||||
| Ligand Name: (5r,6e,8z,11z,14z,17z)-5-Hydroxyicosa-6,8,11,14,17-Pentaenoic Acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with 5-HEPA | PDB:2VV2 | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [8] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGTTDKSPF247 VIYDMNSLMM257 GEDKIKKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5HE or .5HE2 or .5HE3 or :35HE;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:342 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.548
PHE282
4.559
GLY284
4.071
CYS285
3.434
GLN286
4.450
ARG288
4.112
SER289
3.057
HIS323
3.159
ILE326
4.478
TYR327
3.033
LEU330
3.415
|
|||||
| Ligand Name: 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid | Ligand Info | |||||
| Structure Description | PPARg LBD bound to SR11023 | PDB:6C5T | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [26] |
| PDB Sequence |
HGSHMESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEDK 261 IKFKHIQSKE276 VAIRIFQGQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL 317 LKYGVHEIIY327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK 367 FEFAVKFNAL377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL 417 ELQLKLNHPE427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDSLHPL 468 LQEIYKDLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EKP or .EKP2 or .EKP3 or :3EKP;style chemicals stick;color identity;select .A:262 or .A:266 or .A:280 or .A:281 or .A:283 or .A:284 or .A:287 or .A:288 or .A:289 or .A:292 or .A:325 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
4.775
HIS266
3.843
ARG280
4.642
ILE281
3.133
GLN283
4.294
GLY284
3.201
PHE287
3.390
ARG288
3.221
SER289
4.678
ALA292
3.497
|
|||||
| Ligand Name: (6e,10z,13z,16z,19z)-4-Oxodocosa-6,10,13,16,19-Pentaenoic Acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with 4-oxoDHA | PDB:2VV3 | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [8] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTDKSPF247 VIYDMNSLMM257 GEDKIKKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKD |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4R8 or .4R82 or .4R83 or :34R8;style chemicals stick;color identity;select .A:263 or .A:281 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS263
4.344
ILE281
4.232
GLY284
3.632
CYS285
1.757
GLN286
4.976
ARG288
3.633
SER289
3.062
HIS323
2.808
ILE326
4.834
TYR327
2.920
LEU330
3.712
LEU333
4.534
VAL339
3.907
|
|||||
| Ligand Name: N-[[5-(3-phenylprop-2-ynoylamino)-2-propoxyphenyl]methyl]-4-pyrimidin-2-ylbenzamide | Ligand Info | |||||
| Structure Description | PPARgamma antagonist (MMT-160)- PPARgamma LBD complex | PDB:7WOX | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [104] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKKEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKD |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5YW or .5YW2 or .5YW3 or :35YW;style chemicals stick;color identity;select .A:255 or .A:259 or .A:263 or .A:280 or .A:281 or .A:284 or .A:285 or .A:287 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:341 or .A:342 or .A:348 or .A:363 or .A:364 or .A:367; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate | Ligand Info | |||||
| Structure Description | Covalent labeling of hPPARg-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization | PDB:6JF0 | ||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | No | [100] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTDKSPF247 VIYDMNSLMM257 GEDKIKKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKD |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EB6 or .EB62 or .EB63 or :3EB6;style chemicals stick;color identity;select .A:263 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:291 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:361 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS263
4.137
ILE281
4.396
PHE282
2.367
GLN283
4.133
GLY284
3.836
CYS285
3.328
GLN286
2.869
ARG288
3.194
SER289
3.318
GLU291
4.965
HIS323
3.416
ILE326
3.941
TYR327
4.295
LEU330
3.294
LEU333
4.878
VAL339
3.945
|
|||||
| Ligand Name: 4'-[(2,3-Dimethyl-5-{[(1r)-1-(4-Nitrophenyl)ethyl]carbamoyl}-1h-Indol-1-Yl)methyl]biphenyl-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgammma in complex with SR1663 | PDB:4R6S | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [105] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVFEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3K2 or .3K22 or .3K23 or :33K2;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:463 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG280
4.457
ILE281
3.667
PHE282
3.183
GLN283
4.545
GLY284
3.844
CYS285
3.770
GLN286
2.518
PHE287
4.883
ARG288
2.352
SER289
2.785
ALA292
3.713
HIS323
4.019
ILE326
3.889
TYR327
2.799
LEU330
3.555
LEU333
4.090
|
|||||
| Ligand Name: (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Troglitazone | PDB:6DGO | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [17] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GD4 or .GD42 or .GD43 or :3GD4;style chemicals stick;color identity;select .A:264 or .A:266 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE264
4.592
HIS266
3.941
ILE281
3.934
PHE282
4.233
GLY284
4.433
CYS285
3.064
GLN286
4.859
PHE287
4.381
ARG288
3.392
SER289
2.340
HIS323
3.373
ILE326
4.019
TYR327
3.066
LEU330
3.727
LEU333
4.998
|
|||||
| Ligand Name: {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid | Ligand Info | |||||
| Structure Description | Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77 | PDB:6MS7 | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [106] |
| PDB Sequence |
GSPESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGEDKIK 263 FEQSKEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY 320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF 370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ 420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ 470 EIYKD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V77 or .V772 or .V773 or :3V77;style chemicals stick;color identity;select .A:226 or .A:264 or .A:278 or .A:281 or .A:282 or .A:283 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:340 or .A:341 or .A:342 or .A:343 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:463 or .A:464 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.766
PHE264
4.875
ALA278
4.536
ILE281
3.618
PHE282
3.137
GLN283
4.454
CYS285
3.461
GLN286
3.024
ARG288
2.549
SER289
2.425
ALA292
3.421
GLU295
3.787
ILE296
4.281
HIS323
2.612
ILE326
3.796
TYR327
3.366
MET329
3.644
LEU330
4.158
|
|||||
| Ligand Name: Magnolol | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgammaLBD complexed with the agonist magnolol | PDB:3R5N | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [107] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTKSPFV248 IYDMNSLMMG258 EDKIKFSKEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTSLHPLLQE471 IYKDLY |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MLO or .MLO2 or .MLO3 or :3MLO;style chemicals stick;color identity;select .A:255 or .A:259 or .A:264 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
3.985
GLU259
4.406
PHE264
3.602
ALA278
3.954
ARG280
4.835
ILE281
3.713
PHE282
3.439
GLY284
3.711
CYS285
3.382
GLN286
4.470
ARG288
3.454
SER289
3.349
ALA292
4.493
ILE326
3.723
TYR327
3.462
|
|||||
| Ligand Name: (5r)-5-{4-[2-(5-Ethylpyridin-2-Yl)ethoxy]benzyl}-1,3-Thiazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST PIOGLITAZONE | PDB:2XKW | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [108] |
| PDB Sequence |
LNPESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGEDKKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P1B or .P1B2 or .P1B3 or :3P1B;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.879
PHE282
3.326
GLY284
4.356
CYS285
2.400
GLN286
2.812
SER289
2.603
HIS323
2.561
ILE326
4.118
TYR327
3.579
LEU330
3.944
VAL339
4.163
|
|||||
| Ligand Name: (5s)-5-({6-[(2-Fluorobenzyl)oxy]naphthalen-2-Yl}methyl)-1,3-Thiazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding domain in complex with MCC555 | PDB:3B0Q | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [109] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKS 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MC5 or .MC52 or .MC53 or :3MC5;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.882
PHE282
3.412
GLY284
4.032
CYS285
3.519
GLN286
4.183
ARG288
3.666
SER289
2.659
HIS323
2.689
ILE326
3.980
TYR327
3.274
LEU330
3.319
VAL339
3.360
|
|||||
| Ligand Name: N-[[3-[[(1R,2S)-2-[[(E)-2-cyano-4,4-dimethylpent-2-enoyl]amino]cyclopentyl]oxymethyl]phenyl]methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding domain complexed with SB1494 | PDB:6IJS | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [83] |
| PDB Sequence |
LNPESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGEDKIK 263 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A9F or .A9F2 or .A9F3 or :3A9F;style chemicals stick;color identity;select .A:226 or .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:341 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.974
ALA278
3.720
ILE281
3.692
PHE282
3.181
CYS285
1.798
GLN286
3.556
ARG288
3.426
SER289
2.785
ALA292
3.940
GLU295
4.025
ILE326
3.622
TYR327
3.399
MET329
3.595
LEU330
3.694
|
|||||
| Ligand Name: 1-Benzyl-5-Chloro-3-(Phenylthio)-1h-Indole-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma ligand binding domain bound to partial agonist SR145 | PDB:2Q61 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [32] |
| PDB Sequence |
ADLRALAKHL
218 YDSYIKSFPL228 TKAKARAILT238 GKTTDKSPFV248 IYDMNSLMMG258 EDKKEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKDLY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SF1 or .SF12 or .SF13 or :3SF1;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.383
LEU255
3.558
GLU259
4.596
ARG280
4.763
ILE281
3.625
GLY284
3.517
CYS285
3.624
ARG288
3.292
SER289
3.988
ALA292
4.582
ILE326
4.261
|
|||||
| Ligand Name: 5-Chloro-1-(3-Methoxybenzyl)-3-(Phenylthio)-1h-Indole-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of PPAR gamma complexed with partial agonist SF147 | PDB:2Q6R | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [32] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKEVAIR 280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY320 GVHEIIYTML 330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLGDFM364 EPKFEFAVKF374 NALELDDSDL 384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN424 HPESSQLFAK 434 LLQKMTDLRQ444 IVTEHPLLQE471 IYKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SF2 or .SF22 or .SF23 or :3SF2;style chemicals stick;color identity;select .A:249 or .A:255 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.910
LEU255
4.477
ILE281
4.252
GLY284
3.335
CYS285
3.254
ARG288
2.885
SER289
4.526
ALA292
4.832
ILE326
3.898
MET329
3.748
LEU330
3.524
|
|||||
| Ligand Name: (S)-3-(4-(2-Carbazol-9-YL-ethoxy)-phenyl)-2-ethoxy-propionic acid | Ligand Info | |||||
| Structure Description | LIGAND BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA IN COMPLEX WITH A SYNTHETIC AGONIST | PDB:1KNU | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [110] |
| PDB Sequence |
LNPESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGEDKIK 263 FKHKEVAIRI281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG 321 VHEIIYTMLA331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA 371 VKFNALELDD381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL 421 KLNHPESSQL431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE 471 IYKDL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YPA or .YPA2 or .YPA3 or :3YPA;style chemicals stick;color identity;select .A:264 or .A:266 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE264
4.657
HIS266
3.783
ILE281
4.460
PHE282
3.400
GLY284
3.974
CYS285
3.500
GLN286
3.676
ARG288
3.204
SER289
2.804
HIS323
2.970
ILE326
4.063
TYR327
3.736
|
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| Ligand Name: 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide | Ligand Info | |||||
| Structure Description | PPARg bound to JTP-426467 and Co-R peptide | PDB:8DKV | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [111] |
| PDB Sequence |
PESADLRALA
243 KHLYDSYIKS253 FPLTKAKARA263 ILTGKTTDKS273 PFVIYDMNSL283 MMGEDKPLQE 300 QSKEVAIRIF310 QGCQFRSVEA320 VQEITEYAKS330 IPGFVNLDLN340 DQVTLLKYGV 350 HEIIYTMLAS360 LMNKDGVLIS370 EGQGFMTREF380 LKSLRKPFGD390 FMEPKFEFAV 400 KFNALELDDS410 DLAIFIAVII420 LSGDRPGLLN430 VKPIEDIQDN440 LLQALELQLK 450 LNHPESSQLF460 AKLLQKMTDL470 RQIVTEHVQL480 LQVIKKTETD490 MSLHPLLQEI 500 YKDLY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SKL or .SKL2 or .SKL3 or :3SKL;style chemicals stick;color identity;select .A:309 or .A:310 or .A:311 or .A:313 or .A:314 or .A:347 or .A:348 or .A:351 or .A:355 or .A:391 or .A:392 or .A:395 or .A:474 or .A:477 or .A:480 or .A:501 or .A:502 or .A:504 or .A:505; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Cyclohexyl-1-propylsulfonic acid | Ligand Info | |||||
| Structure Description | PPARg bound to JTP-426467 and Co-R peptide | PDB:8DKV | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [111] |
| PDB Sequence |
PESADLRALA
243 KHLYDSYIKS253 FPLTKAKARA263 ILTGKTTDKS273 PFVIYDMNSL283 MMGEDKPLQE 300 QSKEVAIRIF310 QGCQFRSVEA320 VQEITEYAKS330 IPGFVNLDLN340 DQVTLLKYGV 350 HEIIYTMLAS360 LMNKDGVLIS370 EGQGFMTREF380 LKSLRKPFGD390 FMEPKFEFAV 400 KFNALELDDS410 DLAIFIAVII420 LSGDRPGLLN430 VKPIEDIQDN440 LLQALELQLK 450 LNHPESSQLF460 AKLLQKMTDL470 RQIVTEHVQL480 LQVIKKTETD490 MSLHPLLQEI 500 YKDLY
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CXS or .CXS2 or .CXS3 or :3CXS;style chemicals stick;color identity;select .A:311 or .A:314 or .A:315 or .A:316 or .A:317 or .A:318 or .A:319 or .A:320 or .A:354 or .A:357 or .A:358 or .A:361 or .A:371 or .A:503 or .A:504 or .A:505; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-(Naphthalen-1-Ylsulfonyl)-N-[(1s)-1-Phenylpropyl]-1h-Indole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of SR2067 bound to PPARgamma | PDB:4R06 | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [112] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTTTDKSPF247 VIYDMNSLMM257 GEEVAIRIFQ 283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH323 EIIYTMLASL 333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK373 FNALELDDSD 383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL423 NHPESSQLFA 433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY473 KD |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3E7 or .3E72 or .3E73 or :33E7;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:322 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.560
PHE282
3.378
GLY284
3.579
CYS285
3.282
GLN286
3.989
ARG288
3.784
SER289
2.643
VAL322
4.808
HIS323
3.315
ILE326
3.633
TYR327
2.622
LEU330
3.467
MET334
4.331
VAL339
3.189
|
|||||
| Ligand Name: 4-Bromo-N-{3,5-Dichloro-4-[(Quinolin-3-Yl)oxy]phenyl}-2,5-Difluorobenzene-1-Sulfonamide | Ligand Info | |||||
| Structure Description | X-ray crystal structure of PPARgamma in complex with SR1643 | PDB:5TTO | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [113] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7KK or .7KK2 or .7KK3 or :37KK;style chemicals stick;color identity;select .A:264 or .A:278 or .A:281 or .A:282 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE264
4.100
ALA278
3.472
ILE281
3.577
PHE282
3.436
GLY284
3.824
CYS285
3.700
ARG288
3.165
SER289
3.335
ILE326
4.834
TYR327
3.202
LEU330
4.042
VAL339
3.846
|
|||||
| Ligand Name: (5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | Ligand Info | |||||
| Structure Description | PPARg in complex with compound 4b | PDB:6E5A | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [114] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIEV 277 AIRIFQGQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKDL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HV4 or .HV42 or .HV43 or :3HV4;style chemicals stick;color identity;select .A:262 or .A:281 or .A:282 or .A:284 or .A:288 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R)-2-{5-[(5-{[(1R)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid | Ligand Info | |||||
| Structure Description | PPARg bound to partial agonist H3B-487 | PDB:8DSZ | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [111] |
| PDB Sequence |
SADLRALAKH
245 LYDSYIKSFP255 LTKAKARAIL265 TGKTTDKSPF275 VIYDMNSLMM285 GEDKIKFKHE 304 VAIRIFQGCQ314 FRSVEAVQEI324 TEYAKSIPGF334 VNLDLNDQVT344 LLKYGVHEII 354 YTMLASLMNK364 DGVLISEGQG374 FMTREFLKSL384 RKPFGDFMEP394 KFEFAVKFNA 404 LELDDSDLAI414 FIAVIILSGD424 RPGLLNVKPI434 EDIQDNLLQA444 LELQLKLNHP 454 ESSQLFAKLL464 QKMTDLRQIV474 TEHVQLLQVI484 KKTETDMSLH494 PLLQEIYKD |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TJO or .TJO2 or .TJO3 or :3TJO;style chemicals stick;color identity;select .A:292 or .A:293 or .A:309 or .A:310 or .A:311 or .A:312 or .A:313 or .A:314 or .A:315 or .A:316 or .A:317 or .A:320 or .A:351 or .A:354 or .A:355 or .A:358 or .A:361 or .A:367 or .A:368 or .A:369 or .A:370 or .A:371 or .A:376 or .A:388 or .A:391 or .A:392 or .A:395 or .A:477 or .A:481 or .A:484 or .A:491 or .A:492 or .A:493 or .A:497 or .A:501; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE292
4.339
LYS293
3.610
ILE309
3.451
PHE310
3.669
GLN311
4.429
GLY312
3.921
CYS313
2.977
GLN314
3.630
PHE315
4.353
ARG316
3.276
SER317
2.866
ALA320
4.771
HIS351
3.958
ILE354
4.049
TYR355
2.758
LEU358
3.297
LEU361
3.770
VAL367
4.261
|
|||||
| Ligand Name: {5-[(5-{[(4-tert-butylphenyl)methyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}acetic acid | Ligand Info | |||||
| Structure Description | PPARg bound to inverse agonist H3B-343 | PDB:8DSY | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [111] |
| PDB Sequence |
SADLRALAKH
245 LYDSYIKSFP255 LTKAKARAIL265 TGKTTDKSPF275 VIYDMNSLMM285 GEDKIKKEVA 306 IRIFQGCQFR316 SVEAVQEITE326 YAKSIPGFVN336 LDLNDQVTLL346 KYGVHEIIYT 356 MLASLMNKDG366 VLISEGQGFM376 TREFLKSLRK386 PFGDFMEPKF396 EFAVKFNALE 406 LDDSDLAIFI416 AVIILSGDRP426 GLLNVKPIED436 IQDNLLQALE446 LQLKLNHPES 456 SQLFAKLLQK466 MTDLRQIVTE476 HVQLLQVIKK486 TETDMSLHPL496 LQEIYK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TJC or .TJC2 or .TJC3 or :3TJC;style chemicals stick;color identity;select .A:309 or .A:312 or .A:313 or .A:314 or .A:316 or .A:317 or .A:318 or .A:320 or .A:321 or .A:350 or .A:351 or .A:354 or .A:355 or .A:358 or .A:361 or .A:367 or .A:368 or .A:369 or .A:370 or .A:371 or .A:376 or .A:381 or .A:391 or .A:392 or .A:395 or .A:477 or .A:496 or .A:497 or .A:500; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE309
3.820
GLY312
3.613
CYS313
2.996
GLN314
3.729
ARG316
3.658
SER317
3.224
VAL318
4.008
ALA320
4.913
VAL321
3.727
VAL350
3.781
HIS351
3.322
ILE354
3.653
TYR355
3.183
LEU358
3.396
LEU361
3.614
|
|||||
| Ligand Name: 2-Methyl-2-[4-[2-[4-[(E)-Phenyldiazenyl]phenoxy]ethyl]phenoxy]propanoic Acid | Ligand Info | |||||
| Structure Description | Structural basis for GL479 a dual Peroxisome Proliferator-Activated Receptor gamma agonist | PDB:4CI5 | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [115] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDLY 477
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Y1N or .Y1N2 or .Y1N3 or :3Y1N;style chemicals stick;color identity;select .A:226 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE226
3.784
PHE282
3.609
CYS285
3.873
GLN286
3.642
ARG288
3.733
SER289
2.892
ALA292
3.325
GLU295
3.220
ILE296
4.032
HIS323
2.819
ILE325
4.379
ILE326
4.108
|
|||||
| Ligand Name: N-Benzyl-1-[(4-Chloro-3-Fluorophenyl)methyl]-1h-Indole-5-Carboxamide | Ligand Info | |||||
| Structure Description | Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selectively PPAR gamma-modulating ligand VSP-51 | PDB:5TWO | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [116] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7MV or .7MV2 or .7MV3 or :37MV;style chemicals stick;color identity;select .A:262 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
3.958
ILE281
3.851
PHE282
3.330
GLY284
3.235
CYS285
3.513
GLN286
3.713
ARG288
3.386
SER289
2.858
HIS323
3.815
ILE326
3.915
TYR327
2.776
LEU330
3.421
|
|||||
| Ligand Name: 4'-[(2,3-Dimethyl-5-{[(1s)-1-Phenylpropyl]carbamoyl}-1h-Indol-1-Yl)methyl]biphenyl-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | The X-ray Crystal Structure of PPAR-gamma in Complex with an Indole Derivative Modulator, GSK538, and an SRC-1 Peptide | PDB:3KMG | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [117] |
| PDB Sequence |
ADLRALAKHL
218 YDSYIKSFPL228 TKAKARAILT238 GKTTDKSPFV248 IYDMNSLMMG258 EDKIKEQSKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETMSLHP467 LLQEIYKDL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .538 or .5382 or .5383 or :3538;style chemicals stick;color identity;select .A:255 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.914
ARG280
4.310
ILE281
3.890
PHE282
3.267
GLY284
3.641
CYS285
3.522
GLN286
3.533
PHE287
4.764
ARG288
2.715
SER289
2.747
ALA292
4.125
HIS323
3.210
ILE326
3.768
TYR327
2.774
LEU330
3.539
|
|||||
| Ligand Name: [(4-{[2-(Pent-2-Yn-1-Yloxy)-4-{[4-(Trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}-5,6,7,8-Tetrahydronaphthalen-1-Yl)oxy]acetic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist | PDB:3H0A | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [118] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKQE 272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN312 DQVTLLKYGV 322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD362 FMEPKFEFAV 372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN412 LLQALELQLK 422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD462 MSLHPLLQEI 472 YKDLY
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D30 or .D302 or .D303 or :3D30;style chemicals stick;color identity;select .D:228 or .D:249 or .D:255 or .D:259 or .D:262 or .D:277 or .D:278 or .D:280 or .D:281 or .D:282 or .D:284 or .D:285 or .D:288 or .D:289 or .D:292 or .D:326 or .D:327 or .D:330 or .D:333 or .D:339 or .D:340 or .D:341 or .D:342 or .D:343 or .D:344 or .D:348 or .D:353 or .D:356 or .D:360 or .D:363 or .D:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU228
4.163
ILE249
4.781
LEU255
2.996
GLU259
3.116
ILE262
3.926
VAL277
4.382
ALA278
4.838
ARG280
3.540
ILE281
3.510
PHE282
3.947
GLY284
3.433
CYS285
3.476
ARG288
2.783
SER289
3.885
ALA292
4.134
ILE326
3.693
|
|||||
| Ligand Name: N-[(2s)-2-[(2-Benzoylphenyl)amino]-3-{4-[2-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)ethoxy]phenyl}propyl]acetamide | Ligand Info | |||||
| Structure Description | PPARgamma Ligand binding domain complexed with a farglitazar analogue gw4709 | PDB:2POB | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [119] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKKSPFVI249 YDMNSLMMGE259 DKIKKEVAIR 280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY320 GVHEIIYTML 330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF370 AVKFNALELD 380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ420 LKLNHPESSQ 430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ470 EIYKD |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GW4 or .GW42 or .GW43 or :3GW4;style chemicals stick;color identity;select .A:255 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:322 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:360 or .A:363 or .A:364 or .A:449 or .A:452 or .A:453 or .A:456 or .A:465 or .A:469 or .A:472 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.852
ALA278
4.475
ARG280
3.992
ILE281
4.191
PHE282
3.237
GLY284
4.071
CYS285
3.421
GLN286
3.609
ARG288
4.252
SER289
3.298
VAL322
4.625
HIS323
3.062
ILE326
3.631
TYR327
3.704
LEU330
4.016
VAL339
4.049
|
|||||
| Ligand Name: Ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma with compound BR101549 | PDB:6ILQ | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [120] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTSPFV248 IYDMNSLMMV277 AIRIFQGCQF 287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY327 TMLASLMNKD 337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL377 ELDDSDLAIF 387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE427 SSQLFAKLLQ 437 KMTDLRQIVT447 EHVQLLQVIK457 KTETSLHPLL469 QEIYKDL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AE0 or .AE02 or .AE03 or :3AE0;style chemicals stick;color identity;select .A:226 or .A:227 or .A:228 or .A:255 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:341 or .A:342 or .A:343 or .A:344 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.605
PRO227
4.427
LEU228
3.994
LEU255
4.444
ILE281
3.836
GLY284
3.966
CYS285
3.495
ARG288
2.848
SER289
3.498
ALA292
3.381
GLU295
4.482
ILE296
4.960
ILE326
3.790
TYR327
4.430
|
|||||
| Ligand Name: 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma with compound BR102375K | PDB:6ICJ | ||||
| Method | X-ray diffraction | Resolution | 2.48 Å | Mutation | No | [121] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTKSPF247 VIYDMNSLMM257 GEKEVAIRIF 282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN312 DQVTLLKYGV322 HEIIYTMLAS 332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD362 FMEPKFEFAV372 KFNALELDDS 382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN412 LLQALELQLK422 LNHPESSQLF 432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD462 MSLHPLLQEI472 YKDL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A0L or .A0L2 or .A0L3 or :3A0L;style chemicals stick;color identity;select .A:228 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:341 or .A:348 or .A:353 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:456 or .A:463 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU228
4.554
ILE281
3.519
PHE282
3.174
CYS285
3.638
GLN286
4.005
ARG288
3.471
SER289
2.980
ALA292
3.249
HIS323
3.747
ILE326
3.725
TYR327
4.046
MET329
3.618
LEU330
3.282
LEU333
3.706
VAL339
4.577
|
|||||
| Ligand Name: 2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARg in complex with T2384 | PDB:3K8S | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [122] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY 320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF 370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ 420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 LHPLLQEIYK 474 DL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z27 or .Z272 or .Z273 or :3Z27;style chemicals stick;color identity;select .A:262 or .A:263 or .A:264 or .A:267 or .A:278 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:361 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
3.252
LYS263
4.230
PHE264
3.603
ILE267
3.684
ALA278
3.918
ILE281
3.795
PHE282
2.944
GLY284
4.379
CYS285
3.302
GLN286
3.622
ARG288
3.278
SER289
3.579
ILE326
4.870
TYR327
3.488
|
|||||
| Ligand Name: Hydroxypioglitazone | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Hydroxy Pioglitazone (M-IV) | PDB:6DHA | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [123] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKDL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GFV or .GFV2 or .GFV3 or :3GFV;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG280
3.810
ILE281
2.787
PHE282
3.145
GLN283
4.896
GLY284
3.014
CYS285
3.457
GLN286
3.478
ARG288
4.493
SER289
2.972
HIS323
2.562
ILE326
4.193
TYR327
3.578
LEU330
3.580
|
|||||
| Ligand Name: Nonanoic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Hydroxy Pioglitazone (M-IV) | PDB:6DHA | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [123] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKDL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KNA or .KNA2 or .KNA3 or :3KNA;style chemicals stick;color identity;select .A:228 or .A:249 or .A:258 or .A:259 or .A:260 or .A:288 or .A:295 or .A:326 or .A:329 or .A:330 or .A:333 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:345; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [(1-{3-[(6-Benzoyl-1-Propyl-2-Naphthyl)oxy]propyl}-1h-Indol-5-Yl)oxy]acetic Acid | Ligand Info | |||||
| Structure Description | Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists | PDB:2HWQ | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [124] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DRY or .DRY2 or .DRY3 or :3DRY;style chemicals stick;color identity;select .A:255 or .A:259 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.744
GLU259
3.663
ARG280
3.658
ILE281
3.696
PHE282
2.995
GLY284
3.362
CYS285
3.728
GLN286
3.455
ARG288
3.875
SER289
4.223
ILE326
4.273
TYR327
3.511
LEU330
3.888
MET334
4.375
|
|||||
| Ligand Name: (5-{3-[4-(Biphenyl-4-Ylcarbonyl)-2-Propylphenoxy]propoxy}-1h-Indol-1-Yl)acetic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human PPAR-gamma ligand binding domain complex with a potency improved agonist | PDB:3NOA | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [125] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5BC or .5BC2 or .5BC3 or :35BC;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:270 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.382
LEU255
3.327
GLU259
3.280
LEU270
3.574
ARG280
3.719
ILE281
3.915
PHE282
3.675
GLY284
3.819
CYS285
3.624
GLN286
4.008
ARG288
3.488
SER289
3.119
HIS323
2.749
ILE326
3.524
TYR327
3.989
LEU330
3.246
|
|||||
| Ligand Name: 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperidin-1-YL]methyl}isoquinoline | Ligand Info | |||||
| Structure Description | A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro | PDB:2FVJ | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [126] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDLY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RO0 or .RO02 or .RO03 or :3RO0;style chemicals stick;color identity;select .A:226 or .A:228 or .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.528
LEU228
3.292
ALA278
3.847
ILE281
3.837
PHE282
2.935
CYS285
3.424
GLN286
3.103
ARG288
3.791
SER289
4.109
ALA292
3.416
GLU295
2.974
ILE296
4.030
ILE326
3.631
TYR327
3.836
MET329
3.658
|
|||||
| Ligand Name: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid | Ligand Info | |||||
| Structure Description | Design and biological evaluation of novel, balanced dual PPARa/g agonists | PDB:3FEJ | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [127] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDLY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CTM or .CTM2 or .CTM3 or :3CTM;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG280
4.988
ILE281
4.073
PHE282
3.299
GLY284
3.955
CYS285
3.257
GLN286
4.108
ARG288
3.122
SER289
2.658
HIS323
2.998
ILE326
4.013
TYR327
3.598
LEU330
3.156
|
|||||
| Ligand Name: 2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-YL}ethanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the ligand binding domain of human PPAR-gamma in complex with an agonist | PDB:2F4B | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [128] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EHA or .EHA2 or .EHA3 or :3EHA;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:270 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.643
LEU255
3.680
GLU259
3.242
LEU270
4.452
ARG280
3.670
ILE281
4.167
PHE282
3.363
GLY284
3.384
CYS285
3.502
GLN286
3.289
ARG288
3.971
SER289
3.554
HIS323
3.967
ILE326
4.438
TYR327
3.654
LEU330
3.137
|
|||||
| Ligand Name: (2s)-3-(1-{[2-(2-Chlorophenyl)-5-Methyl-1,3-Oxazol-4-Yl]methyl}-1h-Indol-5-Yl)-2-Ethoxypropanoic Acid | Ligand Info | |||||
| Structure Description | Structure-based Design of Indole Propionic Acids as Novel PPARag CO-Agonists | PDB:2GTK | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [129] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDLY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .208 or .2082 or .2083 or :3208;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.554
PHE282
3.234
GLY284
3.730
CYS285
3.107
GLN286
3.963
ARG288
3.449
SER289
2.628
HIS323
2.728
ILE326
3.929
TYR327
3.526
LEU330
3.726
|
|||||
| Ligand Name: 2-{5-[3-(7-Propyl-3-trifluoromethylbenzo[D]isoxazol-6-yloxy)propoxy]indol-1-YL}ethanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the ligand binding domain of human PPAR-gamma im complex with an agonist | PDB:2ATH | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [130] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3EA or .3EA2 or .3EA3 or :33EA;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG280
4.750
ILE281
3.502
PHE282
3.448
GLY284
3.365
CYS285
3.475
GLN286
3.911
ARG288
3.486
SER289
3.006
HIS323
2.538
ILE326
3.951
TYR327
3.917
LEU330
3.668
MET334
4.120
|
|||||
| Ligand Name: (2s)-3-{4-[3-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)propyl]phenyl}-2-(1h-Pyrrol-1-Yl)propanoic Acid | Ligand Info | |||||
| Structure Description | X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist | PDB:2Q8S | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [131] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L92 or .L922 or .L923 or :3L92;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG280
4.670
ILE281
3.826
PHE282
3.468
GLY284
3.633
CYS285
3.393
GLN286
3.731
ARG288
3.606
SER289
3.026
HIS323
2.721
ILE326
3.996
TYR327
2.954
LEU330
3.647
|
|||||
| Ligand Name: 2-[(1-{3-[4-(Biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPAR-gamma Ligand Binding Domain Complexed with a Potent and Selective Agonist | PDB:3GBK | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [132] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2PQ or .2PQ2 or .2PQ3 or :32PQ;style chemicals stick;color identity;select .A:249 or .A:255 or .A:258 or .A:259 or .A:270 or .A:273 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.775
LEU255
3.638
GLY258
4.801
GLU259
3.170
LEU270
4.361
GLN273
4.729
ARG280
3.791
ILE281
3.959
PHE282
3.352
GLY284
3.460
CYS285
3.768
GLN286
3.369
ARG288
3.223
SER289
2.968
HIS323
2.969
ILE326
3.317
|
|||||
| Ligand Name: N-[1-(4-Fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-YL]-3,5-bis(trifluoromethyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities | PDB:2G0H | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [133] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SP3 or .SP32 or .SP33 or :3SP3;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:340 or .A:341 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA278
4.534
ILE281
4.142
PHE282
3.571
CYS285
3.443
GLN286
3.640
ARG288
3.034
SER289
3.150
ALA292
4.370
ILE326
3.344
TYR327
3.483
LEU330
3.555
MET334
4.442
VAL339
3.609
|
|||||
| Ligand Name: (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid | Ligand Info | |||||
| Structure Description | X-ray Crystal structure of the nuclear hormone receptor PPAR-gamma in a complex with a PPAR gamma/alpha dual agonist | PDB:3IA6 | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [134] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKEVAIR 280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY320 GVHEIIYTML 330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF370 AVKFNALELD 380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ420 LKLNHPESSQ 430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ470 EIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UNT or .UNT2 or .UNT3 or :3UNT;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG280
4.175
ILE281
3.969
PHE282
3.536
GLY284
3.768
CYS285
3.597
GLN286
3.594
ARG288
4.027
SER289
2.630
HIS323
2.742
ILE326
3.887
TYR327
3.681
LEU330
3.696
|
|||||
| Ligand Name: 2-[(1-{3-[(6-Benzoyl-1-propyl-2-naphthyl)oxy]propyl}-1H-indol-4-YL)oxy]-2-methylpropanoic acid | Ligand Info | |||||
| Structure Description | Structural basis for the structure-activity relationships of Peroxisome Proliferator-Activated Receptor agonists | PDB:2HWR | ||||
| Method | X-ray diffraction | Resolution | 2.34 Å | Mutation | No | [124] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DRD or .DRD2 or .DRD3 or :3DRD;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.728
LEU255
3.735
GLU259
3.060
ARG280
3.495
ILE281
4.030
PHE282
3.396
GLY284
3.523
CYS285
3.661
GLN286
3.398
ARG288
3.451
SER289
3.184
HIS323
2.817
ILE326
4.904
TYR327
3.993
LEU330
3.708
|
|||||
| Ligand Name: 3-Fluoro-N-[1-(4-fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-YL]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities | PDB:2G0G | ||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | No | [133] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SP0 or .SP02 or .SP03 or :3SP0;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA278
4.292
ILE281
4.032
PHE282
3.447
CYS285
3.523
GLN286
3.580
ARG288
3.752
SER289
3.519
ILE326
4.201
TYR327
3.334
LEU330
4.006
LEU353
4.401
|
|||||
| Ligand Name: (5S)-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with MSDC-0602 | PDB:6DH9 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [135] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKKEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GH1 or .GH12 or .GH13 or :3GH1;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.886
PHE282
2.528
GLY284
3.758
CYS285
3.224
GLN286
3.839
ARG288
4.241
SER289
3.240
HIS323
2.471
ILE326
4.160
TYR327
3.649
LEU330
3.553
|
|||||
| Ligand Name: 10-Nitrolinoleic acid | Ligand Info | |||||
| Structure Description | Molecular recognition of nitro-fatty acids by PPAR gamma | PDB:3CWD | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [35] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIYDMNSLMM257 GEDSKEVAIR 280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY320 GVHEIIYTML 330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF370 AVKFNALELD 380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ420 LKLNHPESSQ 430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ470 EIYKDLY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LNA or .LNA2 or .LNA3 or :3LNA;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
4.450
PHE282
4.202
GLY284
4.477
CYS285
3.155
GLN286
1.693
PHE287
4.770
ARG288
3.446
SER289
3.385
ALA292
4.563
HIS323
4.730
ILE326
3.661
TYR327
3.741
|
|||||
| Ligand Name: (4r,6s,8s,12r,14r,16z,18r,19r,20s,21s)-19,21-Dihydroxy-22-{(2s,2'r,5s,5's)-5'-[(1r)-1-Hydroxyethyl]-2,5'-Dimethyloctahydro-2,2'-Bifuran-5-Yl}-4,6,8,12,14,18,20-Heptamethyl-9,11-Dioxodocos-16-Enoic Acid | Ligand Info | |||||
| Structure Description | Identification of a unique PPAR ligand with an unexpected binding mode and antibetic activity | PDB:4FGY | ||||
| Method | X-ray diffraction | Resolution | 2.84 Å | Mutation | No | [136] |
| PDB Sequence |
ESADLRALAK
244 HLYDSYIKSF254 PLTKAKARAI264 LTGKTTDKSP274 FVIYDMNSLM284 MGEDKITPLQ 299 EQSKEVAIRI309 FQGCQFRSVE319 AVQEITEYAK329 SIPGFVNLDL339 NDQVTLLKYG 349 VHEIIYTMLA359 SLMNKDGVLI369 SEGQGFMTRE379 FLKSLRKPFG389 DFMEPKFEFA 399 VKFNALELDD409 SDLAIFIAVI419 ILSGDRPGLL429 NVKPIEDIQD439 NLLQALELQL 449 KLNHPESSQL459 FAKLLQKMTD469 LRQIVTEHVQ479 LLQVIKKTET489 DMSLHPLLQE 499 IYKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0W3 or .0W32 or .0W33 or :30W3;style chemicals stick;color identity;select .A:306 or .A:309 or .A:310 or .A:312 or .A:313 or .A:314 or .A:316 or .A:317 or .A:320 or .A:354 or .A:355 or .A:357 or .A:358 or .A:361 or .A:367 or .A:369 or .A:376 or .A:381 or .A:384 or .A:388 or .A:391 or .A:392 or .A:477 or .A:480 or .A:481 or .A:491 or .A:493; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA306
3.400
ILE309
3.475
PHE310
3.383
GLY312
3.927
CYS313
3.093
GLN314
3.224
ARG316
3.448
SER317
3.193
ALA320
4.473
ILE354
3.417
TYR355
2.811
MET357
3.628
LEU358
3.670
LEU361
3.274
|
|||||
| Ligand Name: 2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid | Ligand Info | |||||
| Structure Description | Covalent bond formation of synthetic ligand with hPPARg-LBD | PDB:5WQX | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [137] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTDKSPF247 VIYDMNSLMM257 GEDKIKKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T65 or .T652 or .T653 or :3T65;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:327 or .A:330 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.841
PHE282
3.940
GLY284
4.029
CYS285
1.607
GLN286
3.297
ARG288
3.588
SER289
3.514
HIS323
4.261
TYR327
2.531
LEU330
4.361
VAL339
3.911
ILE341
3.807
|
|||||
| Ligand Name: 2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-enylidene)amino]ethanoic acid | Ligand Info | |||||
| Structure Description | Covalent bond formation of bifunctional ligand with hPPARg-LBD | PDB:5WR1 | ||||
| Method | X-ray diffraction | Resolution | 2.34 Å | Mutation | No | [137] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTDKSPF247 VIYDMNSLMM257 GEDKIKKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8XO or .8XO2 or .8XO3 or :38XO;style chemicals stick;color identity;select .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
4.489
PHE282
3.567
GLN283
4.581
GLY284
4.010
CYS285
1.669
GLN286
2.837
PHE287
4.184
SER289
3.699
HIS323
4.933
ILE326
4.723
TYR327
2.907
LEU330
4.631
|
|||||
| Ligand Name: (E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine | Ligand Info | |||||
| Structure Description | Huisgen cycloaddition for PPARg-LBD labeling by soaking method | PDB:5WR0 | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [137] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTDKSPF247 VIYDMNSLMM257 GEDKIKKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKD |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8Y0 or .8Y02 or .8Y03 or :38Y0;style chemicals stick;color identity;select .A:263 or .A:280 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:323 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:345 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS263
2.714
ARG280
2.828
ILE281
4.330
PHE282
3.707
GLN283
4.522
GLY284
3.783
CYS285
1.651
GLN286
2.946
PHE287
2.974
ARG288
3.861
SER289
3.653
HIS323
4.971
TYR327
2.887
LEU330
4.488
VAL339
4.701
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| REF 135 | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with MSDC-0602 | ||||
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| REF 137 | On-site reaction for PPARGamma modification using a specific bifunctional ligand. Bioorg Med Chem. 2017 Dec 15;25(24):6492-6500. | ||||
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