Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T36557 | Target Info | |||
| Target Name | Peroxisome proliferator-activated receptor delta (PPARD) | ||||
| Synonyms | Peroxisomeproliferator-activated receptor beta; Peroxisomeproliferator activated receptor beta/delta; Peroxisome proliferator-activated receptor beta; PPARdelta; PPARB; PPAR-delta; PPAR-beta; Nuclear receptor subfamily 1 group C member 2; Nuclear hormone receptor 1; NUCI; NUC1; NR1C2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PPARD | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Pemafibrate | Ligand Info | |||||
| Structure Description | X-ray structure of human PPAR delta ligand binding domain-pemafibrate co-crystals obtained by co-crystallization | PDB:7WGN | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [1] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 GKTAPFVIHD215 IETLWQAEKG225 LVWGLPPYKE 240 ISVHVFYRCQ250 CTTVETVREL260 TEFAKSIPSF270 SSLFLNDQVT280 LLKYGVHEAI 290 FAMLASIVNK300 DGLLVANGSG310 FVTREFLRSL320 RKPFSDIIEP330 KFEFAVKFNA 340 LELDDSDLAL350 FIAAIILCGD360 RPGLMNVPRV370 EAIQDTILRA380 LEFHLQANHP 390 DAQYLFPKLL400 QKMADLRQLV410 TEHAQMMQRI420 KKTETETSLH430 PLLQEIYKDM 440 Y
|
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|
MET192
3.330
ILE213
3.567
LEU219
3.066
GLU223
4.315
TRP228
2.743
HIS244
4.449
VAL245
3.026
PHE246
2.660
ARG248
3.322
CYS249
2.715
GLN250
3.142
THR252
3.314
THR253
2.269
THR256
4.232
HIS287
2.825
ALA289
4.891
ILE290
2.775
|
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| Ligand Name: Bezafibrate | Ligand Info | |||||
| Structure Description | X-ray structure of human PPAR delta ligand binding domain-bezafibrate co-crystals obtained by co-crystallization | PDB:7WGL | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [1] |
| PDB Sequence |
DLKAFSKHIY
183 NAYLKNFNMT193 KKKARSILTG203 KAPFVIHDIE217 TLWQAEKGLV227 WLPPYKEISV 243 HVFYRCQCTT253 VETVRELTEF263 AKSIPSFSSL273 FLNDQVTLLK283 YGVHEAIFAM 293 LASIVNKDGL303 LVANGSGFVT313 REFLRSLRKP323 FSDIIEPKFE333 FAVKFNALEL 343 DDSDLALFIA353 AIILCGDRPG363 LMNVPRVEAI373 QDTILRALEF383 HLQANHPDAQ 393 YLFPKLLQKM403 ADLRQLVTEH413 AQMMQRIKKT423 ETETSLHPLL433 QEIYKDM |
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|
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TRP228
3.738
VAL245
3.711
PHE246
2.967
ARG248
3.248
CYS249
3.038
GLN250
2.815
THR252
2.591
THR253
2.415
HIS287
2.801
ILE290
4.134
PHE291
3.211
LEU294
3.249
|
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| Ligand Name: Icosapent | Ligand Info | |||||
| Structure Description | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | PDB:3GWX | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [2] |
| PDB Sequence |
QVADLKAFSK
216 HIYNAYLKNF226 NMTKKKARSI236 LTGKASHTAP246 FVIHDIETLW256 QAEKGLVWKQ 266 LVNGLPPYKE276 ISVHVFYRCQ286 CTTVETVREL296 TEFAKSIPSF306 SSLFLNDQVT 316 LLKYGVHEAI326 FAMLASIVNK336 DGLLVANGSG346 FVTREFLRSL356 RKPFSDIIEP 366 KFEFAVKFNA376 LELDDSDLAL386 FIAAIILCGD396 RPGLMNVPRV406 EAIQDTILRA 416 LEFHLQANHP426 DAQYLFPKLL436 QKMADLRQLV446 TEHAQMMQRI456 KKTETETSLH 466 PLLQEIYKDM476 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 .EPA or .EPA2 or .EPA3 or :3EPA;style chemicals stick;color identity;select .A:228 or .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: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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MET228
4.248
PHE282
4.994
CYS285
3.587
GLN286
4.513
THR288
3.568
THR289
2.893
THR292
3.146
GLU295
4.388
HIS323
2.718
ILE326
3.381
PHE327
4.969
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| Ligand Name: Indeglitazar | Ligand Info | |||||
| Structure Description | Structure of PPARdelta with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid | PDB:3ET2 | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [3] |
| PDB Sequence |
VADLKAFSKH
181 IYNAYLKNFN191 MTKKKARSIL201 TGKASHTAPF211 VIHDIETLWQ221 AEKGLVWVNG 234 LPPYKEISVH244 VFYRCQCTTV254 ETVRELTEFA264 KSIPSFSSLF274 LNDQVTLLKY 284 GVHEAIFAML294 ASIVNKDGLL304 VANGSGFVTR314 EFLRSLRKPF324 SDIIEPKFEF 334 AVKFNALELD344 DSDLALFIAA354 IILCGDRPGL364 MNVPRVEAIQ374 DTILRALEFH 384 LQANHPDAQY394 LFPKLLQKMA404 DLRQLVTEHA414 QMMQRIKKTE424 TETSLHPLLQ 434 EIYKDM
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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 .ET1 or .ET12 or .ET13 or :3ET1;style chemicals stick;color identity;select .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:303 or .A:305 or .A:317 or .A:320 or .A:324 or .A:327 or .A:328 or .A:331 or .A:413 or .A:417 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL245
3.867
PHE246
3.429
ARG248
4.882
CYS249
3.596
GLN250
3.793
THR252
3.708
THR253
3.300
HIS287
2.972
ILE290
4.175
PHE291
2.978
LEU294
3.779
ILE297
4.950
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| Ligand Name: B-Octylglucoside | Ligand Info | |||||
| Structure Description | X-ray structure of human PPAR delta ligand binding domain-pemafibrate co-crystals obtained by co-crystallization | PDB:7WGN | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [1] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 GKTAPFVIHD215 IETLWQAEKG225 LVWGLPPYKE 240 ISVHVFYRCQ250 CTTVETVREL260 TEFAKSIPSF270 SSLFLNDQVT280 LLKYGVHEAI 290 FAMLASIVNK300 DGLLVANGSG310 FVTREFLRSL320 RKPFSDIIEP330 KFEFAVKFNA 340 LELDDSDLAL350 FIAAIILCGD360 RPGLMNVPRV370 EAIQDTILRA380 LEFHLQANHP 390 DAQYLFPKLL400 QKMADLRQLV410 TEHAQMMQRI420 KKTETETSLH430 PLLQEIYKDM 440 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 .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:234 or .A:235 or .A:236 or .A:247 or .A:250 or .A:251 or .A:258 or .A:428 or .A:429 or .A:430 or .A:431 or .A:432; 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: GW-0742X | Ligand Info | |||||
| Structure Description | Crystal structure PPAR delta binding GW0742 | PDB:3TKM | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [4] |
| PDB Sequence |
GSHMQVADLK
176 AFSKHIYNAY186 LKNFNMTKKK196 ARSILTGKAS206 HTAPFVIHDI216 ETLWQAEKGL 226 VWGLPPYKEI241 SVHVFYRCQC251 TTVETVRELT261 EFAKSIPSFS271 SLFLNDQVTL 281 LKYGVHEAIF291 AMLASIVNKD301 GLLVANGSGF311 VTREFLRSLR321 KPFSDIIEPK 331 FEFAVKFNAL341 ELDDSDLALF351 IAAIILCGDR361 PGLMNVPRVE371 AIQDTILRAL 381 EFHLQANHPD391 AQYLFPKLLQ401 KMADLRQLVT411 EHAQMMQRIK421 KTETETSLHP 431 LLQEIYKDMY441
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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 .GW0 or .GW02 or .GW03 or :3GW0;style chemicals stick;color identity;select .A:213 or .A:219 or .A:228 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:290 or .A:291 or .A:294 or .A:303 or .A:305 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:331 or .A:413 or .A:417 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE213
4.205
LEU219
4.587
TRP228
3.921
VAL245
3.805
PHE246
3.511
ARG248
3.527
CYS249
3.497
GLN250
4.255
THR252
3.954
THR253
3.319
HIS287
2.810
ILE290
4.663
PHE291
3.871
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| Ligand Name: Heptyl-Beta-D-Glucopyranoside | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 1 | PDB:5U3Q | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [5] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 GTAPFVIHDI216 ETLWQAEKGL226 VWKQLVNGLP 236 PYKEISVHVF246 YRCQCTTVET256 VRELTEFAKS266 IPSFSSLFLN276 DQVTLLKYGV 286 HEAIFAMLAS296 IVNKDGLLVA306 NGSGFVTREF316 LRSLRKPFSD326 IIEPKFEFAV 336 KFNALELDDS346 DLALFIAAII356 LCGDRPGLMN366 VPRVEAIQDT376 ILRALEFHLQ 386 ANHPDAQYLF396 PKLLQKMADL406 RQLVTEHAQM416 MQRIKKTETE426 TSLHPLLQEI 436 YKDMY
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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 .B7G or .B7G2 or .B7G3 or :3B7G;style chemicals stick;color identity;select .A:257 or .A:258 or .A:261 or .A:276 or .A:279 or .A:282 or .A:283 or .A:286 or .A:432 or .A:435 or .A:436 or .A:438 or .A:439; 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: S,S-(2-Hydroxyethyl)Thiocysteine | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 4 | PDB:5U3T | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [5] |
| PDB Sequence |
PQVADLKAFS
179 KHIYNAYLKN189 FNMTKKKARS199 ILTGKASHTA209 PFVIHDIETL219 WQAEKGLVWK 229 QLVNGLPPYK239 EISVHVFYRC249 QTTVETVREL260 TEFAKSIPSF270 SSLFLNDQVT 280 LLKYGVHEAI290 FAMLASIVNK300 DGLLVANGSG310 FVTREFLRSL320 RKPFSDIIEP 330 KFEFAVKFNA340 LELDDSDLAL350 FIAAIILCGD360 RPGLMNVPRV370 EAIQDTILRA 380 LEFHLQANHP390 DAQYLFPKLL400 QKMADLRQLV410 TEHAQMMQRI420 KKTETETSLH 430 PLLQEIYKDM440
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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 .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:230 or .A:234 or .A:235 or .A:236 or .A:247 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:254 or .A:255 or .A:256 or .A:428 or .A:430; 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: GW-501516 | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with GW501516 | PDB:5U46 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [5] |
| PDB Sequence |
PQVADLKAFS
179 KHIYNAYLKN189 FNMTKKKARS199 ILTAPFVIHD215 IETLWQAEKG225 LVWKQLVNGL 235 PPYKEISVHV245 FYRCQCTTVE255 TVRELTEFAK265 SIPSFSSLFL275 NDQVTLLKYG 285 VHEAIFAMLA295 SIVNKDGLLV305 ANGSGFVTRE315 FLRSLRKPFS325 DIIEPKFEFA 335 VKFNALELDD345 SDLALFIAAI355 ILCGDRPGLM365 NVPRVEAIQD375 TILRALEFHL 385 QANHPDAQYL395 FPKLLQKMAD405 LRQLVTEHAQ415 MMQRIKKTET425 ETSLHPLLQE 435 IYKD
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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 .7T1 or .7T12 or .7T13 or :37T1;style chemicals stick;color identity;select .A:213 or .A:219 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:303 or .A:305 or .A:312 or .A:316 or .A:317 or .A:324 or .A:327 or .A:328 or .A:331 or .A:413 or .A:417 or .A:420 or .A:429 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE213
4.097
LEU219
3.691
TRP228
2.636
HIS244
4.802
VAL245
2.386
PHE246
2.212
ARG248
2.659
CYS249
2.608
GLN250
2.268
THR252
2.605
THR253
2.382
THR256
4.806
HIS287
1.877
ILE290
3.239
PHE291
2.183
LEU294
2.223
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| Ligand Name: GW-2331 | Ligand Info | |||||
| Structure Description | Crystal structure of PPAR delta complexed with GW2331 | PDB:1Y0S | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [6] |
| PDB Sequence |
PQVADLKAFS
215 KHIYNAYLKN225 FNMTKKKARS235 ILTGAPFVIH250 DIETLWQAEK260 GLVWGLPPYK 275 EISVHVFYRC285 QCTTVETVRE295 LTEFAKSIPS305 FSSLFLNDQV315 TLLKYGVHEA 325 IFAMLASIVN335 KDGLLVANGS345 GFVTREFLRS355 LRKPFSDIIE365 PKFEFAVKFN 375 ALELDDSDLA385 LFIAAIILCG395 DRPGLMNVPR405 VEAIQDTILR415 ALEFHLQANH 425 PDAQYLFPKL435 LQKMADLRQL445 VTEHAQMMQR455 IKKTETETSL465 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 .331 or .3312 or .3313 or :3331;style chemicals stick;color identity;select .A:249 or .A:255 or .A:264 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:290 or .A:292 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:352 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
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ILE249
3.465
LEU255
3.997
TRP264
3.199
VAL281
2.686
PHE282
3.105
ARG284
3.234
CYS285
2.332
GLN286
2.678
CYS287
4.750
THR288
2.853
THR289
2.312
VAL290
4.714
THR292
3.993
HIS323
2.837
ALA325
4.748
ILE326
2.266
PHE327
3.149
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| Ligand Name: GW-2433 | Ligand Info | |||||
| Structure Description | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | PDB:1GWX | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
QVADLKAFSK
216 HIYNAYLKNF226 NMTKKKARSI236 LTGKASHTAP246 FVIHDIETLW256 QAEKGLVWKQ 266 LVNGLPPYKE276 ISVHVFYRCQ286 CTTVETVREL296 TEFAKSIPSF306 SSLFLNDQVT 316 LLKYGVHEAI326 FAMLASIVNK336 DGLLVANGSG346 FVTREFLRSL356 RKPFSDIIEP 366 KFEFAVKFNA376 LELDDSDLAL386 FIAAIILCGD396 RPGLMNVPRV406 EAIQDTILRA 416 LEFHLQANHP426 DAQYLFPKLL436 QKMADLRQLV446 TEHAQMMQRI456 KKTETETSLH 466 PLLQEIYKDM476 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 .433 or .4332 or .4333 or :3433;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: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:348 or .A:352 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
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TRP264
4.142
VAL281
3.635
PHE282
3.978
ARG284
3.515
CYS285
3.439
GLN286
3.292
THR288
2.762
THR289
3.339
THR292
2.881
HIS323
2.703
ILE326
2.879
PHE327
3.869
MET329
3.711
LEU330
3.393
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|||||
| Ligand Name: L-165041 | Ligand Info | |||||
| Structure Description | Crystal Structure of PPAR-delta complex | PDB:3D5F | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [7] |
| PDB Sequence |
LKAFSKHIYN
220 AYLKNFNMTK230 KKARSILTGP246 FVIHDIETLW256 QAEKGLVWLP272 PYKEISVHVF 282 YRCQCTTVET292 VRELTEFAKS302 IPSFSSLFLN312 DQVTLLKYGV322 HEAIFAMLAS 332 IVNKDGLLVA342 NGSGFVTREF352 LRSLRKPFSD362 IIEPKFEFAV372 KFNALELDDS 382 DLALFIAAII392 LCGDRPGLMN402 VPRVEAIQDT412 ILRALEFHLQ422 ANHPDAQQLF 432 PKLLQKMADL442 RQLVTEHAQM452 MQRIKKTETE462 TSLHPLLQEI472 YKDM |
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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 .L41 or .L412 or .L413 or :3L41;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: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
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TRP264
3.558
VAL281
4.077
PHE282
3.841
ARG284
3.303
CYS285
3.573
GLN286
4.045
THR288
2.770
THR289
3.360
HIS323
2.664
ILE326
4.201
PHE327
3.996
LEU330
3.539
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|||||
| Ligand Name: 2-[2-Methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid | Ligand Info | |||||
| Structure Description | Human Peroxisome proliferator-activated receptor (PPAR) delta in complexed with a potent and selective agonist | PDB:5Y7X | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [8] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 GHTAPFVIHD215 IETLWQAEKG225 LVWLPPYKEI 241 SVHVFYRCQC251 TTVETVRELT261 EFAKSIPSFS271 SLFLNDQVTL281 LKYGVHEAIF 291 AMLASIVNKD301 GLLVANGSGF311 VTREFLRSLR321 KPFSDIIEPK331 FEFAVKFNAL 341 ELDDSDLALF351 IAAIILCGDR361 PGLMNVPRVE371 AIQDTILRAL381 EFHLQANHPD 391 AQYLFPKLLQ401 KMADLRQLVT411 EHAQMMQRIK421 KTETETSLHP431 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 .8RR or .8RR2 or .8RR3 or :38RR;style chemicals stick;color identity;select .A:213 or .A:219 or .A:228 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:290 or .A:291 or .A:294 or .A:303 or .A:305 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:331 or .A:413 or .A:417 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE213
4.269
LEU219
4.373
TRP228
3.144
VAL245
3.813
PHE246
3.404
ARG248
3.472
CYS249
3.591
GLN250
4.111
THR252
3.787
THR253
3.172
HIS287
2.752
ILE290
4.384
PHE291
3.718
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|||||
| Ligand Name: Hexyl beta-D-glucopyranoside | Ligand Info | |||||
| Structure Description | Human Peroxisome proliferator-activated receptor (PPAR) delta in complexed with a potent and selective agonist | PDB:5Y7X | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [8] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 GHTAPFVIHD215 IETLWQAEKG225 LVWLPPYKEI 241 SVHVFYRCQC251 TTVETVRELT261 EFAKSIPSFS271 SLFLNDQVTL281 LKYGVHEAIF 291 AMLASIVNKD301 GLLVANGSGF311 VTREFLRSLR321 KPFSDIIEPK331 FEFAVKFNAL 341 ELDDSDLALF351 IAAIILCGDR361 PGLMNVPRVE371 AIQDTILRAL381 EFHLQANHPD 391 AQYLFPKLLQ401 KMADLRQLVT411 EHAQMMQRIK421 KTETETSLHP431 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 .JZR or .JZR2 or .JZR3 or :3JZR;style chemicals stick;color identity;select .A:257 or .A:261 or .A:279 or .A:282 or .A:283 or .A:286 or .A:432 or .A:435 or .A:436 or .A:438; 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: 5-Chloro-2-Methoxy-N-[2-[4-[(5-Propan-2-Yl-1,3,4-Thiadiazol-2-Yl)sulfamoyl]phenyl]ethyl]benzamide | Ligand Info | |||||
| Structure Description | Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy | PDB:2XYJ | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [9] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 GSHTAPFVIH214 DIETLWQAEK224 GLVWKQGLPP 237 YKEISVHVFY247 RCQCTTVETV257 RELTEFAKSI267 PSFSSLFLND277 QVTLLKYGVH 287 EAIFAMLASI297 VNKDGLLVAN307 GSGFVTREFL317 RSLRKPFSDI327 IEPKFEFAVK 337 FNALELDDSD347 LALFIAAIIL357 CGDRPGLMNV367 PRVEAIQDTI377 LRALEFHLQA 387 NHPDAQYLFP397 KLLQKMADLR407 QLVTEHAQMM417 QRIKKTETET427 SLHPLLQEIY 437 KDM
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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 .WLM or .WLM2 or .WLM3 or :3WLM;style chemicals stick;color identity;select .A:213 or .A:219 or .A:228 or .A:242 or .A:245 or .A:246 or .A:248 or .A:249 or .A:252 or .A:253 or .A:258 or .A:291 or .A:294 or .A:303 or .A:305 or .A:312 or .A:317 or .A:320 or .A:324 or .A:327 or .A:328 or .A:331 or .A:413 or .A:430 or .A:431 or .A:432 or .A:435; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE213
4.710
LEU219
3.299
TRP228
3.662
SER242
4.152
VAL245
3.736
PHE246
3.664
ARG248
3.808
CYS249
3.097
THR252
3.570
THR253
3.638
ARG258
3.234
PHE291
3.227
LEU294
3.919
LEU303
4.054
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| Ligand Name: 4-[2-[[3-Chloro-5-(Trifluoromethyl)pyridin-2-Yl]amino]ethyl]-N-(5-Propan-2-Yl-1,3,4-Thiadiazol-2-Yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy | PDB:2XYX | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [9] |
| PDB Sequence |
KAFSKHIYNA
185 YLKNFNMTKK195 KARSILTGKA209 PFVIHDIETL219 WQAEKGLVWK229 QLVNGLPPYK 239 EISVHVFYRC249 QCTTVETVRE259 LTEFAKSIPS269 FSSLFLNDQV279 TLLKYGVHEA 289 IFAMLASIVN299 KDGLLVANGS309 GFVTREFLRS319 LRKPFSDIIE329 PKFEFAVKFN 339 ALELDDSDLA349 LFIAAIILCG359 DRPGLMNVPR369 VEAIQDTILR379 ALEFHLQANH 389 PDAQYLFPKL399 LQKMADLRQL409 VTEHAQMMQR419 IKKTETETSL429 HPLLQEIYKD 439 M
|
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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 .Z00 or .Z002 or .Z003 or :3Z00;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:242 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:252 or .A:253 or .A:290 or .A:291 or .A:294 or .A:303 or .A:305 or .A:312 or .A:316 or .A:317 or .A:320 or .A:324 or .A:325 or .A:327 or .A:328 or .A:331 or .A:413 or .A:417; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE213
3.570
LEU219
3.359
GLU223
4.642
TRP228
3.264
SER242
4.452
HIS244
4.647
VAL245
3.673
PHE246
3.707
ARG248
3.767
CYS249
3.349
THR252
3.561
THR253
3.438
ILE290
4.816
PHE291
3.402
|
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| Ligand Name: 3-Chloro-6-Fluoro-N-[2-[4-[(5-Propan-2-Yl-1,3,4-Thiadiazol-2-Yl)sulfamoyl]phenyl]ethyl]-1-Benzothiophene-2-Carboxamide | Ligand Info | |||||
| Structure Description | Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy | PDB:2XYW | ||||
| Method | X-ray diffraction | Resolution | 3.14 Å | Mutation | No | [9] |
| PDB Sequence |
DLKAFSKHIY
183 NAYLKNFNMT193 KKKARSILTG203 KAPFVIHDIE217 TLWQAEKGLV227 WKQLVNGLPP 237 YKEISVHVFY247 RCQCTTVETV257 RELTEFAKSI267 PSFSSLFLND277 QVTLLKYGVH 287 EAIFAMLASI297 VNKDGLLVAN307 GSGFVTREFL317 RSLRKPFSDI327 IEPKFEFAVK 337 FNALELDDSD347 LALFIAAIIL357 CGDRPGLMNV367 PRVEAIQDTI377 LRALEFHLQA 387 NHPDAQYLFP397 KLLQKMADLR407 QLVTEHAQMM417 QRIKKTETET427 SLHPLLQEIY 437 KDM
|
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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 .08S or .08S2 or .08S3 or :308S;style chemicals stick;color identity;select .A:213 or .A:219 or .A:228 or .A:242 or .A:245 or .A:246 or .A:248 or .A:249 or .A:252 or .A:253 or .A:290 or .A:291 or .A:294 or .A:303 or .A:305 or .A:306 or .A:312 or .A:316 or .A:317 or .A:320 or .A:324 or .A:327 or .A:328 or .A:331 or .A:413 or .A:417; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE213
4.270
LEU219
3.889
TRP228
3.424
SER242
4.432
VAL245
3.446
PHE246
3.460
ARG248
3.813
CYS249
3.322
THR252
3.298
THR253
3.310
ILE290
4.165
PHE291
3.082
LEU294
3.561
|
|||||
| Ligand Name: 1-Butanol | Ligand Info | |||||
| Structure Description | Structure of PPARdelta with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid | PDB:3ET2 | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [3] |
| PDB Sequence |
VADLKAFSKH
181 IYNAYLKNFN191 MTKKKARSIL201 TGKASHTAPF211 VIHDIETLWQ221 AEKGLVWVNG 234 LPPYKEISVH244 VFYRCQCTTV254 ETVRELTEFA264 KSIPSFSSLF274 LNDQVTLLKY 284 GVHEAIFAML294 ASIVNKDGLL304 VANGSGFVTR314 EFLRSLRKPF324 SDIIEPKFEF 334 AVKFNALELD344 DSDLALFIAA354 IILCGDRPGL364 MNVPRVEAIQ374 DTILRALEFH 384 LQANHPDAQY394 LFPKLLQKMA404 DLRQLVTEHA414 QMMQRIKKTE424 TETSLHPLLQ 434 EIYKDM
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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 .1BO or .1BO2 or .1BO3 or :31BO;style chemicals stick;color identity;select .A:216 or .A:219 or .A:220 or .A:223 or .A:238 or .A:241 or .A:244 or .A:257 or .A:261 or .A:274 or .A:275 or .A:276 or .A:279 or .A:282 or .A:283 or .A:432 or .A:436; 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-{4-[2-(2,4-Dichloro-Phenoxy)-Ethylcarbamoyl]-5-Phenyl-Isoxazol-3-Yl}-Phenyl)-Acetic Acid | Ligand Info | |||||
| Structure Description | 3,4,5-Trisubstituted Isoxazoles as Novel PPARdelta Agonists: Part2 | PDB:2J14 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [10] |
| PDB Sequence |
DLKAFSKHIY
183 NAYLKNFNMT193 KKKARSILTS206 HTAPFVIHDI216 ETLWQAEKLP236 PYKEISVHVF 246 YRCQCTTVET256 VRELTEFAKS266 IPSFSSLFLN276 DQVTLLKYGV286 HEAIFAMLAS 296 IVNKDGLLVA306 NGSGFVTREF316 LRSLRKPFSD326 IIEPKFEFAV336 KFNALELDDS 346 DLALFIAAII356 LCGDRPGLMN366 VPRVEAIQDT376 ILRALEFHLQ386 ANHPDAQYLF 396 PKLLQKMADL406 RQLVTEHAQM416 MQRIKKTETE426 TSLHPLLQEI436 YKDM |
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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 .GNI or .GNI2 or .GNI3 or :3GNI;style chemicals stick;color identity;select .A:213 or .A:219 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:291 or .A:294 or .A:298 or .A:303 or .A:305 or .A:312 or .A:317 or .A:327 or .A:328 or .A:331 or .A:332 or .A:413 or .A:417 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE213
4.965
LEU219
3.493
VAL245
3.589
PHE246
3.592
ARG248
3.422
CYS249
3.505
GLN250
3.937
THR252
3.256
THR253
2.873
HIS287
2.814
PHE291
4.176
LEU294
3.331
VAL298
3.101
|
|||||
| Ligand Name: [4-({(1s)-1-[(2,4-Dichlorophenyl)carbamoyl]-1,3-Dihydro-2h-Isoindol-2-Yl}methyl)-2-Methylphenoxy]acetic Acid | Ligand Info | |||||
| Structure Description | PPAR Delta in complex with azppard02 | PDB:3OZ0 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [11] |
| PDB Sequence |
LKAFSKHIYN
220 AYLKNFNMTK230 KKARSILTAP246 FVIHDIETLW256 QAEKGLVWKQ266 LVNGLPPYKE 276 ISVHVFYRCQ286 CTTVETVREL296 TEFAKSIPSF306 SSLFLNDQVT316 LLKYGVHEAI 326 FAMLASIVNK336 DGLLVANGSG346 FVTREFLRSL356 RKPFSDIIEP366 KFEFAVKFNA 376 LELDDSDLAL386 FIAAIILCGD396 RPGLMNVPRV406 EAIQDTILRA416 LEFHLQANHP 426 DAQYLFPKLL436 QKMADLRQLV446 TEHAQMMQRI456 KKTETETSLH466 PLLQEIYKDM 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 .3OZ or .3OZ2 or .3OZ3 or :33OZ;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: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:371 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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VAL281
3.516
PHE282
3.261
ARG284
3.408
CYS285
3.323
GLN286
4.051
THR288
3.435
THR289
2.709
HIS323
2.989
PHE327
3.691
LEU330
3.693
VAL334
3.491
LEU339
3.552
|
|||||
| Ligand Name: [(7-{[2-(3-Morpholin-4-Ylprop-1-Yn-1-Yl)-6-{[4-(Trifluoromethyl)phenyl]ethynyl}pyridin-4-Yl]thio}-2,3-Dihydro-1h-Inden-4-Yl)oxy]acetic Acid | Ligand Info | |||||
| Structure Description | Ligand binding domain of PPAR delta receptor in complex with a partial agonist | PDB:2Q5G | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [12] |
| PDB Sequence |
DLKAFSKHIY
219 NAYLKNFNMT229 KKKARSILTG239 KATAPFVIHD251 IETLWQAEKG261 LVWEISVHVF 282 YRCQCTTVET292 VRELTEFAKS302 IPSFSSLFLN312 DQVTLLKYGV322 HEAIFAMLAS 332 IVNKDGLLVA342 NGSGFVTREF352 LRSLRKPFSD362 IIEPKFEFAV372 KFNALELDDS 382 DLALFIAAII392 LCGDRPGLMN402 VPRVEAIQDT412 ILRALEFHLQ422 ANHPDAQYLF 432 PKLLQKMADL442 RQLVTEHAQM452 MQRIKKPLLQ470 EIYK
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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 .1FA or .1FA2 or .1FA3 or :31FA;style chemicals stick;color identity;select .A:226 or .A:228 or .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:295 or .A:326 or .A:327 or .A:329 or .A:330 or .A:332 or .A:333 or .A:339 or .A:341 or .A:348 or .A:352 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE226
4.559
MET228
3.374
ILE249
4.197
LEU255
3.398
GLU259
4.466
HIS280
4.712
VAL281
3.356
PHE282
4.101
ARG284
3.413
CYS285
3.183
GLN286
3.339
THR288
3.480
THR289
4.146
THR292
3.422
GLU295
3.769
ILE326
3.617
|
|||||
| Ligand Name: 2-[2,6-Dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid | Ligand Info | |||||
| Structure Description | Human PPAR delta ligand binding domain in complex with a synthetic agonist H11 | PDB:7W0G | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [13] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 GKASHTAPFV212 IHDIETLWQA222 EKGLVWKQLV 232 NGLPPYKEIS242 VHVFYRCQCT252 TVETVRELTE262 FAKSIPSFSS272 LFLNDQVTLL 282 KYGVHEAIFA292 MLASIVNKDG302 LLVANGSGFV312 TREFLRSLRK322 PFSDIIEPKF 332 EFAVKFNALE342 LDDSDLALFI352 AAIILCGDRP362 GLMNVPRVEA372 IQDTILRALE 382 FHLQANHPDA392 QYLFPKLLQK402 MADLRQLVTE412 HAQMMQRIKK422 TETETSLHPL 432 LQEIYKDMY
|
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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 .85B or .85B2 or .85B3 or :385B;style chemicals stick;color identity;select .A:213 or .A:219 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:290 or .A:291 or .A:294 or .A:303 or .A:305 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:331 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE213
3.945
LEU219
3.095
TRP228
3.208
HIS244
4.971
VAL245
3.674
PHE246
3.603
ARG248
3.118
CYS249
3.261
GLN250
3.871
THR252
3.080
THR253
3.367
HIS287
3.197
ILE290
4.616
PHE291
3.641
|
|||||
| Ligand Name: Iloprost R-isomer | Ligand Info | |||||
| Structure Description | Structural basis for iloprost as a dual PPARalpha/delta agonist | PDB:3SP9 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [14] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 GKASHTAPFV212 IHDIETLWQA222 EKGLVWKQLV 232 NGLPPYKEIS242 VHVFYRCQCT252 TVETVRELTE262 FAKSIPSFSS272 LFLNDQVTLL 282 KYGVHEAIFA292 MLASIVNKDG302 LLVANGSGFV312 TREFLRSLRK322 PFSDIIEPKF 332 EFAVKFNALE342 LDDSDLALFI352 AAIILCGDRP362 GLMNVPRVEA372 IQDTILRALE 382 FHLQANHPDA392 QYLFPKLLQK402 MADLRQLVTE412 HAQMMQRIKK422 TETETSLHPL 432 LQEIYKDMY
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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 .IL2 or .IL22 or .IL23 or :3IL2;style chemicals stick;color identity;select .A:213 or .A:219 or .A:228 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:290 or .A:291 or .A:294 or .A:303 or .A:304 or .A:305 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:331 or .A:413 or .A:417 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE213
4.604
LEU219
3.750
TRP228
4.530
VAL245
4.031
PHE246
3.376
ARG248
3.545
CYS249
3.761
GLN250
4.106
THR252
2.883
THR253
2.642
HIS287
2.952
ILE290
3.667
PHE291
3.904
LEU294
4.410
|
|||||
| Ligand Name: (2s)-2-{4-Butoxy-3-[({[2-Fluoro-4-(Trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic Acid | Ligand Info | |||||
| Structure Description | Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist TIPP204 | PDB:7VWF | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [15] |
| PDB Sequence |
DLKAFSKHIY
219 NAYLKNFNMT229 KKKARSILTG239 KAPFVIHDIE253 TLWQAEKGLV263 WLPPYKEISV 279 HVFYRCQCTT289 VETVRELTEF299 AKSIPSFSSL309 FLNDQVTLLK319 YGVHEAIFAM 329 LASIVNKDGL339 LVANGSGFVT349 REFLRSLRKP359 FSDIIEPKFE369 FAVKFNALEL 379 DDSDLALFIA389 AIILCGDRPG399 LMNVPRVEAI409 QDTILRALEF419 HLQANHPDAQ 429 YLFPKLLQKM439 ADLRQLVTEH449 AQMMQRIKKT459 ETETSLHPLL469 QEIYKDMY |
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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 .K55 or .K552 or .K553 or :3K55;style chemicals stick;color identity;select .A:249 or .A:255 or .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:327 or .A:330 or .A:334 or .A:339 or .A:341 or .A:348 or .A:352 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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.028
LEU255
4.253
TRP264
3.166
VAL281
3.781
PHE282
3.917
ARG284
3.466
CYS285
3.332
GLN286
3.601
THR288
2.912
THR289
2.662
HIS323
2.789
PHE327
3.662
LEU330
3.838
VAL334
3.866
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2S)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid | Ligand Info | |||||
| Structure Description | human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist JKPL39 | PDB:7VWH | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [15] |
| PDB Sequence |
DLKAFSKHIY
219 NAYLKNFNMT229 KKKARSILTG239 KAPFVIHDIE253 TLWQAEKGLV263 WLPPYKEISV 279 HVFYRCQCTT289 VETVRELTEF299 AKSIPSFSSL309 FLNDQVTLLK319 YGVHEAIFAM 329 LASIVNKDGL339 LVANGSGFVT349 REFLRSLRKP359 FSDIIEPKFE369 FAVKFNALEL 379 DDSDLALFIA389 AIILCGDRPG399 LMNVPRVEAI409 QDTILRALEF419 HLQANHPDAQ 429 YLFPKLLQKM439 ADLRQLVTEH449 AQMMQRIKKT459 ETETSLHPLL469 QEIYKDMY |
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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 .82K or .82K2 or .82K3 or :382K;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .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:327 or .A:330 or .A:331 or .A:334 or .A:339 or .A:341 or .A:348 or .A:352 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368 or .A:371 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
4.061
LEU255
4.294
GLU259
4.908
TRP264
3.395
VAL281
3.449
PHE282
3.861
ARG284
3.407
CYS285
3.455
GLN286
3.637
THR288
3.090
THR289
2.655
HIS323
2.676
PHE327
3.706
LEU330
3.514
ALA331
4.859
|
|||||
| Ligand Name: (2S)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid | Ligand Info | |||||
| Structure Description | Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic alpha/delta dual agonist JKPL38 | PDB:7VWG | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [15] |
| PDB Sequence |
DLKAFSKHIY
219 NAYLKNFNMT229 KKKARSILTG239 KAPFVIHDIE253 TLWQAEKGLV263 WLPPYKEISV 279 HVFYRCQCTT289 VETVRELTEF299 AKSIPSFSSL309 FLNDQVTLLK319 YGVHEAIFAM 329 LASIVNKDGL339 LVANGSGFVT349 REFLRSLRKP359 FSDIIEPKFE369 FAVKFNALEL 379 DDSDLALFIA389 AIILCGDRPG399 LMNVPRVEAI409 QDTILRALEF419 HLQANHPDAQ 429 YLFPKLLQKM439 ADLRQLVTEH449 AQMMQRIKKT459 ETETSLHPLL469 QEIYKDMY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .820 or .8202 or .8203 or :3820;style chemicals stick;color identity;select .A:249 or .A:255 or .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:327 or .A:330 or .A:334 or .A:339 or .A:341 or .A:348 or .A:352 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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.340
LEU255
4.396
TRP264
3.228
VAL281
3.787
PHE282
4.028
ARG284
3.386
CYS285
3.323
GLN286
3.557
THR288
3.150
THR289
2.761
HIS323
2.896
PHE327
3.690
LEU330
3.894
VAL334
3.796
|
|||||
| Ligand Name: (2s)-2-{3-[({[2-Fluoro-4-(Trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-Methoxybenzyl}butanoic Acid | Ligand Info | |||||
| Structure Description | Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP401 | PDB:2ZNQ | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [16] |
| PDB Sequence |
DLKAFSKHIY
219 NAYLKNFNMT229 KKKARSILTG239 KASHTAPFVI249 HDIETLWQAE259 KGLVWLPPYK 275 EISVHVFYRC285 QCTTVETVRE295 LTEFAKSIPS305 FSSLFLNDQV315 TLLKYGVHEA 325 IFAMLASIVN335 KDGLLVANGS345 GFVTREFLRS355 LRKPFSDIIE365 PKFEFAVKFN 375 ALELDDSDLA385 LFIAAIILCG395 DRPGLMNVPR405 VEAIQDTILR415 ALEFHLQANH 425 PDAQYLFPKL435 LQKMADLRQL445 VTEHAQMMQR455 IKKTETETSL465 HPLLQEIYKD 475 MY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .401 or .4012 or .4013 or :3401;style chemicals stick;color identity;select .A:249 or .A:255 or .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:327 or .A:330 or .A:339 or .A:341 or .A:348 or .A:352 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
|
ILE249
4.420
LEU255
4.195
TRP264
3.509
VAL281
3.755
PHE282
3.441
ARG284
3.736
CYS285
3.200
GLN286
3.927
THR288
3.117
THR289
2.628
HIS323
2.946
PHE327
4.024
LEU330
3.599
|
|||||
| Ligand Name: 5-[4-Butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid | Ligand Info | |||||
| Structure Description | Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic partial agonist JK122 | PDB:7VWE | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [15] |
| PDB Sequence |
DLKAFSKHIY
219 NAYLKNFNMT229 KKKARSILTG239 KTAPFVIHDI252 ETLWQAEKGL262 PPYKEISVHV 281 FYRCQCTTVE291 TVRELTEFAK301 SIPSFSSLFL311 NDQVTLLKYG321 VHEAIFAMLA 331 SIVNKDGLLV341 ANGSGFVTRE351 FLRSLRKPFS361 DIIEPKFEFA371 VKFNALELDD 381 SDLALFIAAI391 ILCGDRPGLM401 NVPRVEAIQD411 TILRALEFHL421 QANHPDAQYL 431 FPKLLQKMAD441 LRQLVTEHAQ451 MMQRIKKTET461 ETSLHPLLQE471 IYKDMY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .81O or .81O2 or .81O3 or :381O;style chemicals stick;color identity;select .A:249 or .A:255 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:334 or .A:339 or .A:341 or .A:348 or .A:352 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368 or .A:371 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
3.840
LEU255
3.713
GLU259
4.408
VAL281
3.635
PHE282
3.276
ARG284
3.530
CYS285
3.444
GLN286
4.955
THR288
2.812
THR289
2.827
HIS323
2.680
ILE326
4.500
PHE327
3.684
LEU330
3.482
VAL334
3.672
|
|||||
| Ligand Name: (E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid | Ligand Info | |||||
| Structure Description | Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD | PDB:5XMX | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [17] |
| PDB Sequence |
VADLKAFSKH
181 IYNAYLKNFN191 MTKKKARSIL201 TGAPFVIHDI216 ETLWQAEKGL226 VWGLPPYKEI 241 SVHVFYRCQC251 TTVETVRELT261 EFAKSIPSFS271 SLFLNDQVTL281 LKYGVHEAIF 291 AMLASIVNKD301 GLLVANGSGF311 VTREFLRSLR321 KPFSDIIEPK331 FEFAVKFNAL 341 ELDDSDLALF351 IAAIILCGDR361 PGLMNVPRVE371 AIQDTILRAL381 EFHLQANHPD 391 AQYLFPKLLQ401 KMADLRQLVT411 EHAQMMQRIK421 KTETETSLHP431 LLQEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .89L or .89L2 or .89L3 or :389L;style chemicals stick;color identity;select .A:213 or .A:219 or .A:228 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:303 or .A:304 or .A:305 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:331 or .A:332 or .A:413 or .A:417 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
4.715
LEU219
3.936
TRP228
3.673
VAL245
3.781
PHE246
3.353
ARG248
3.703
CYS249
3.465
GLN250
4.072
THR252
3.431
THR253
2.690
HIS287
2.622
ILE290
4.634
PHE291
4.558
LEU294
3.569
ILE297
4.140
|
|||||
| Ligand Name: 6-[2-({2-[4-(furan-2-yl)phenyl]-5-methyl-1H-imidazol-1-yl}methyl)phenoxy]hexanoic acid | Ligand Info | |||||
| Structure Description | Co-crystal structure of an Inhibitor in complex with human PPARdelta LBD | PDB:5ZXI | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [18] |
| PDB Sequence |
QVADLKAFSK
180 HIYNAYLKNF190 NMTKKKARSI200 LTGPFVIHDI216 ETLWQAEKGL226 VWYKEISVHV 245 FYRCQCTTVE255 TVRELTEFAK265 SIPSFSSLFL275 NDQVTLLKYG285 VHEAIFAMLA 295 SIVNKDGLLV305 ANGSGFVTRE315 FLRSLRKPFS325 DIIEPKFEFA335 VKFNALELDD 345 SDLALFIAAI355 ILCGDRPGLM365 NVPRVEAIQD375 TILRALEFHL385 QANHPDAQYL 395 FPKLLQKMAD405 LRQLVTEHAQ415 MMQRIKKTET425 ETSLHPLLQE435 IYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9LU or .9LU2 or .9LU3 or :39LU;style chemicals stick;color identity;select .A:213 or .A:219 or .A:228 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:303 or .A:304 or .A:305 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:331 or .A:332 or .A:413 or .A:417 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
4.840
LEU219
4.156
TRP228
4.069
VAL245
3.513
PHE246
4.170
ARG248
3.722
CYS249
3.684
GLN250
4.130
THR252
3.401
THR253
2.887
HIS287
2.670
ILE290
3.752
PHE291
4.552
LEU294
3.481
ILE297
4.099
|
|||||
| Ligand Name: Bocidelpar | Ligand Info | |||||
| Structure Description | Co-crystal structure of Inhibitor compound MA-211 in complex with human PPARdelta LBD | PDB:7F80 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [19] |
| PDB Sequence |
MQVADLKAFS
179 KHIYNAYLKN189 FNMTKKKARS199 ILTGPFVIHD215 IETLWQAEKG234 LPPYKEISVH 244 VFYRCQCTTV254 ETVRELTEFA264 KSIPSFSSLF274 LNDQVTLLKY284 GVHEAIFAML 294 ASIVNKDGLL304 VANGSGFVTR314 EFLRSLRKPF324 SDIIEPKFEF334 AVKFNALELD 344 DSDLALFIAA354 IILCGDRPGL364 MNVPRVEAIQ374 DTILRALEFH384 LQANHPDAQY 394 LFPKLLQKMA404 DLRQLVTEHA414 QMMQRIKKTE424 TETSLHPLLQ434 EIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1KF or .1KF2 or .1KF3 or :31KF;style chemicals stick;color identity;select .A:219 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:312 or .A:317 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU219
4.916
HIS244
4.846
VAL245
3.167
PHE246
2.988
ARG248
3.091
CYS249
2.600
GLN250
2.984
THR252
3.449
THR253
2.513
HIS287
2.746
ILE290
3.084
PHE291
3.538
LEU294
3.241
ILE297
3.774
VAL298
4.682
|
|||||
| Ligand Name: 6-(2-{[([1,1'-Biphenyl]-4-Carbonyl)(Propan-2-Yl)amino]methyl}phenoxy)hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 1 | PDB:5U3Q | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [5] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 GTAPFVIHDI216 ETLWQAEKGL226 VWKQLVNGLP 236 PYKEISVHVF246 YRCQCTTVET256 VRELTEFAKS266 IPSFSSLFLN276 DQVTLLKYGV 286 HEAIFAMLAS296 IVNKDGLLVA306 NGSGFVTREF316 LRSLRKPFSD326 IIEPKFEFAV 336 KFNALELDDS346 DLALFIAAII356 LCGDRPGLMN366 VPRVEAIQDT376 ILRALEFHLQ 386 ANHPDAQYLF396 PKLLQKMADL406 RQLVTEHAQM416 MQRIKKTETE426 TSLHPLLQEI 436 YKDMY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7UJ or .7UJ2 or .7UJ3 or :37UJ;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:241 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:305 or .A:306 or .A:312 or .A:316 or .A:317 or .A:320 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.128
LEU219
2.476
GLU223
4.582
TRP228
2.276
ILE241
4.884
HIS244
4.612
VAL245
2.407
PHE246
2.996
ARG248
2.555
CYS249
2.442
GLN250
1.993
THR252
2.215
THR253
2.513
THR256
4.223
HIS287
2.332
ILE290
2.399
PHE291
2.756
LEU294
2.420
|
|||||
| Ligand Name: 6-(2-{[cyclopropyl(3'-Methoxy[1,1'-Biphenyl]-4-Carbonyl)amino]methyl}phenoxy)hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 11 | PDB:5U42 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [5] |
| PDB Sequence |
PQVADLKAFS
179 KHIYNAYLKN189 FNMTKKKARS199 ILTGKASHTA209 PFVIHDIETL219 WQAEKGLVWK 229 QLVNGLPPYK239 EISVHVFYRC249 QCTTVETVRE259 LTEFAKSIPS269 FSSLFLNDQV 279 TLLKYGVHEA289 IFAMLASIVN299 KDGLLVANGS309 GFVTREFLRS319 LRKPFSDIIE 329 PKFEFAVKFN339 ALELDDSDLA349 LFIAAIILCG359 DRPGLMNVPR369 VEAIQDTILR 379 ALEFHLQANH389 PDAQYLFPKL399 LQKMADLRQL409 VTEHAQMMQR419 IKKTETETSL 429 HPLLQEIYKD439 M
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7SM or .7SM2 or .7SM3 or :37SM;style chemicals stick;color identity;select .A:213 or .A:219 or .A:222 or .A:223 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:312 or .A:316 or .A:317 or .A:320 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
2.701
LEU219
2.017
ALA222
3.526
GLU223
2.664
TRP228
2.359
HIS244
3.089
VAL245
2.597
PHE246
2.683
ARG248
2.534
CYS249
2.296
GLN250
2.042
THR252
2.464
THR253
2.493
THR256
3.868
HIS287
2.071
ILE290
2.467
PHE291
3.221
LEU294
2.353
ILE297
3.345
|
|||||
| Ligand Name: 6-[2-({(Propan-2-Yl)[4-(Thiophen-3-Yl)benzene-1-Carbonyl]amino}methyl)phenoxy]hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 4 | PDB:5U3T | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [5] |
| PDB Sequence |
PQVADLKAFS
179 KHIYNAYLKN189 FNMTKKKARS199 ILTGKASHTA209 PFVIHDIETL219 WQAEKGLVWK 229 QLVNGLPPYK239 EISVHVFYRC249 QTTVETVREL260 TEFAKSIPSF270 SSLFLNDQVT 280 LLKYGVHEAI290 FAMLASIVNK300 DGLLVANGSG310 FVTREFLRSL320 RKPFSDIIEP 330 KFEFAVKFNA340 LELDDSDLAL350 FIAAIILCGD360 RPGLMNVPRV370 EAIQDTILRA 380 LEFHLQANHP390 DAQYLFPKLL400 QKMADLRQLV410 TEHAQMMQRI420 KKTETETSLH 430 PLLQEIYKDM440
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7UY or .7UY2 or .7UY3 or :37UY;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:305 or .A:306 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.410
LEU219
2.897
GLU223
4.150
TRP228
2.372
HIS244
4.696
VAL245
2.812
PHE246
2.538
ARG248
2.507
CYS249
2.287
GLN250
1.861
THR252
2.197
THR253
2.289
THR256
3.843
HIS287
2.222
ILE290
2.463
PHE291
3.000
LEU294
2.372
|
|||||
| Ligand Name: 6-[2-({cyclopropyl[4-(Furan-3-Yl)benzene-1-Carbonyl]amino}methyl)phenoxy]hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 10 | PDB:5U3Z | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | No | [5] |
| PDB Sequence |
VADLKAFSKH
181 IYNAYLKNFN191 MTKKKARSIL201 TGKASHTAPF211 VIHDIETLWQ221 AEKGLVWKQL 231 VNGLPPYKEI241 SVHVFYRCQC251 TTVETVRELT261 EFAKSIPSFS271 SLFLNDQVTL 281 LKYGVHEAIF291 AMLASIVNKD301 GLLVANGSGF311 VTREFLRSLR321 KPFSDIIEPK 331 FEFAVKFNAL341 ELDDSDLALF351 IAAIILCGDR361 PGLMNVPRVE371 AIQDTILRAL 381 EFHLQANHPD391 AQYLFPKLLQ401 KMADLRQLVT411 EHAQMMQRIK421 KTETETSLHP 431 LLQEIYKD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7UA or .7UA2 or .7UA3 or :37UA;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:312 or .A:316 or .A:317 or .A:320 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.655
LEU219
2.652
GLU223
4.306
TRP228
2.543
HIS244
4.531
VAL245
2.421
PHE246
2.553
ARG248
2.514
CYS249
2.282
GLN250
2.274
THR252
1.740
THR253
2.009
THR256
3.935
HIS287
2.000
ILE290
2.543
PHE291
2.871
LEU294
2.350
ILE297
3.414
|
|||||
| Ligand Name: 6-(2-{[([1,1'-Biphenyl]-4-Carbonyl)(Cyclopropyl)amino]methyl}phenoxy)hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 7 | PDB:5U3W | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [5] |
| PDB Sequence |
PQVADLKAFS
179 KHIYNAYLKN189 FNMTKKKARS199 ILTGKAPFVI213 HDIETLWQAE223 KGLVWKQLVN 233 GLPPYKEISV243 HVFYRCQTTV254 ETVRELTEFA264 KSIPSFSSLF274 LNDQVTLLKY 284 GVHEAIFAML294 ASIVNKDGLL304 VANGSGFVTR314 EFLRSLRKPF324 SDIIEPKFEF 334 AVKFNALELD344 DSDLALFIAA354 IILCGDRPGL364 MNVPRVEAIQ374 DTILRALEFH 384 LQANHPDAQY394 LFPKLLQKMA404 DLRQLVTEHA414 QMMQRIKKTE424 TETSLHPLLQ 434 EIYKDM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7U1 or .7U12 or .7U13 or :37U1;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:305 or .A:306 or .A:312 or .A:316 or .A:317 or .A:320 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.027
LEU219
2.056
GLU223
4.312
TRP228
2.340
HIS244
4.655
VAL245
2.603
PHE246
2.510
ARG248
2.484
CYS249
2.230
GLN250
2.597
THR252
2.328
THR253
2.564
THR256
3.880
HIS287
2.248
ILE290
2.326
PHE291
3.073
LEU294
2.081
ILE297
3.623
|
|||||
| Ligand Name: 6-[2-({cyclopentyl[4-(Furan-3-Yl)benzene-1-Carbonyl]amino}methyl)phenoxy]hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 6 | PDB:5U3V | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [5] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 APFVIHDIET218 LWQAEKGLVW228 KQLVNGLPPY 238 KEISVHVFYR248 CQTTVETVRE259 LTEFAKSIPS269 FSSLFLNDQV279 TLLKYGVHEA 289 IFAMLASIVN299 KDGLLVANGS309 GFVTREFLRS319 LRKPFSDIIE329 PKFEFAVKFN 339 ALELDDSDLA349 LFIAAIILCG359 DRPGLMNVPR369 VEAIQDTILR379 ALEFHLQANH 389 PDAQYLFPKL399 LQKMADLRQL409 VTEHAQMMQR419 IKKTETETSL429 HPLLQEIYKD 439 MY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7TY or .7TY2 or .7TY3 or :37TY;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:306 or .A:312 or .A:316 or .A:317 or .A:320 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.543
LEU219
2.936
GLU223
4.316
TRP228
2.237
HIS244
4.720
VAL245
2.276
PHE246
2.994
ARG248
2.451
CYS249
2.185
GLN250
2.546
THR252
2.360
THR253
2.211
THR256
3.364
HIS287
2.374
ILE290
2.098
PHE291
2.587
LEU294
2.081
ILE297
3.543
|
|||||
| Ligand Name: 6-(2-{[cyclopropyl(4'-Methoxy[1,1'-Biphenyl]-4-Carbonyl)amino]methyl}phenoxy)hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 12 | PDB:5U43 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [5] |
| PDB Sequence |
PQVADLKAFS
179 KHIYNAYLKN189 FNMTKKKARS199 ILTGKAPFVI213 HDIETLWQAE223 KGLVWKQLVN 233 GLPPYKEISV243 HVFYRCQCTT253 VETVRELTEF263 AKSIPSFSSL273 FLNDQVTLLK 283 YGVHEAIFAM293 LASIVNKDGL303 LVANGSGFVT313 REFLRSLRKP323 FSDIIEPKFE 333 FAVKFNALEL343 DDSDLALFIA353 AIILCGDRPG363 LMNVPRVEAI373 QDTILRALEF 383 HLQANHPDAQ393 YLFPKLLQKM403 ADLRQLVTEH413 AQMMQRIKKT423 ETETSLHPLL 433 QEIYKD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7SS or .7SS2 or .7SS3 or :37SS;style chemicals stick;color identity;select .A:213 or .A:218 or .A:219 or .A:220 or .A:222 or .A:223 or .A:226 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:306 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
2.673
THR218
4.964
LEU219
2.335
TRP220
4.859
ALA222
2.927
GLU223
2.631
LEU226
4.744
TRP228
2.119
HIS244
3.282
VAL245
2.365
PHE246
2.583
ARG248
2.525
CYS249
2.113
GLN250
2.265
THR252
2.388
THR253
2.161
THR256
4.080
HIS287
2.183
ILE290
2.680
PHE291
3.161
|
|||||
| Ligand Name: 6-[2-({benzyl[4-(Thiophen-3-Yl)benzene-1-Carbonyl]amino}methyl)phenoxy]hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 16 | PDB:5U41 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [5] |
| PDB Sequence |
DLKAFSKHIY
183 NAYLKNFNMT193 KKKARSILTA209 PFVIHDIETL219 WQAEKGLVWK229 QLVNGLPPYK 239 EISVHVFYRC249 QCTTVETVRE259 LTEFAKSIPS269 FSSLFLNDQV279 TLLKYGVHEA 289 IFAMLASIVN299 KDGLLVANGS309 GFVTREFLRS319 LRKPFSDIIE329 PKFEFAVKFN 339 ALELDDSDLA349 LFIAAIILCG359 DRPGLMNVPR369 VEAIQDTILR379 ALEFHLQANH 389 PDAQYLFPKL399 LQKMADLRQL409 VTEHAQMMQR419 IKKTETETSL429 HPLLQEIYKD 439
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7UG or .7UG2 or .7UG3 or :37UG;style chemicals stick;color identity;select .A:213 or .A:219 or .A:222 or .A:223 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:290 or .A:291 or .A:294 or .A:295 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:306 or .A:312 or .A:316 or .A:317 or .A:320 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:335 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.261
LEU219
2.845
ALA222
4.813
GLU223
4.065
TRP228
2.166
HIS244
4.671
VAL245
2.293
PHE246
2.623
ARG248
2.512
CYS249
2.308
GLN250
2.523
THR252
2.237
THR253
2.008
HIS287
2.075
ILE290
3.214
PHE291
2.552
LEU294
2.622
ALA295
3.436
ILE297
2.492
VAL298
2.430
|
|||||
| Ligand Name: 6-[2-({cyclopropyl[4-(Furan-2-Yl)benzene-1-Carbonyl]amino}methyl)phenoxy]hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 9 | PDB:5U3Y | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [5] |
| PDB Sequence |
QVADLKAFSK
180 HIYNAYLKNF190 NMTKKKARSI200 LTGKASHTAP210 FVIHDIETLW220 QAEKGLVWLP 236 PYKEISVHVF246 YRCQCTTVET256 VRELTEFAKS266 IPSFSSLFLN276 DQVTLLKYGV 286 HEAIFAMLAS296 IVNKDGLLVA306 NGSGFVTREF316 LRSLRKPFSD326 IIEPKFEFAV 336 KFNALELDDS346 DLALFIAAII356 LCGDRPGLMN366 VPRVEAIQDT376 ILRALEFHLQ 386 ANHPDAQYLF396 PKLLQKMADL406 RQLVTEHAQM416 MQRIKKTETE426 TSLHPLLQEI 436 YKD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7U7 or .7U72 or .7U73 or :37U7;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.558
LEU219
2.637
GLU223
4.371
TRP228
2.608
HIS244
4.485
VAL245
2.602
PHE246
2.642
ARG248
2.496
CYS249
2.307
GLN250
2.242
THR252
2.264
THR253
2.215
THR256
4.052
HIS287
2.130
ILE290
2.429
PHE291
2.942
LEU294
2.318
ILE297
3.455
|
|||||
| Ligand Name: 6-(2-{[cyclopropyl(3'-Fluoro[1,1'-Biphenyl]-4-Carbonyl)amino]methyl}phenoxy)hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 14 | PDB:5U45 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [5] |
| PDB Sequence |
DLKAFSKHIY
183 NAYLKNFNMT193 KKKARSILTA209 PFVIHDIETL219 WQAEKGLVWK229 QLVNGLPPYK 239 EISVHVFYRC249 QCTTVETVRE259 LTEFAKSIPS269 FSSLFLNDQV279 TLLKYGVHEA 289 IFAMLASIVN299 KDGLLVANGS309 GFVTREFLRS319 LRKPFSDIIE329 PKFEFAVKFN 339 ALELDDSDLA349 LFIAAIILCG359 DRPGLMNVPR369 VEAIQDTILR379 ALEFHLQANH 389 PDAQYLFPKL399 LQKMADLRQL409 VTEHAQMMQR419 IKKTETETSL429 HPLLQEIYKD 439 MY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7SY or .7SY2 or .7SY3 or :37SY;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:306 or .A:312 or .A:316 or .A:317 or .A:320 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.303
LEU219
2.041
GLU223
3.994
TRP228
2.371
HIS244
4.371
VAL245
2.721
PHE246
2.619
ARG248
2.540
CYS249
2.269
GLN250
2.526
THR252
2.324
THR253
2.413
THR256
3.914
HIS287
2.170
ILE290
2.317
PHE291
2.977
LEU294
2.223
ILE297
3.401
|
|||||
| Ligand Name: 6-[2-({[4-(Furan-2-Yl)benzene-1-Carbonyl](Propan-2-Yl)amino}methyl)phenoxy]hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 2 | PDB:5U3R | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [5] |
| PDB Sequence |
PQVADLKAFS
179 KHIYNAYLKN189 FNMTKKKARS199 ILTGKASHTA209 PFVIHDIETL219 WQAEKGLVWK 229 QLVNGLPPYK239 EISVHVFYRC249 QCTTVETVRE259 LTEFAKSIPS269 FSSLFLNDQV 279 TLLKYGVHEA289 IFAMLASIVN299 KDGLLVANGS309 GFVTREFLRS319 LRKPFSDIIE 329 PKFEFAVKFN339 ALELDDSDLA349 LFIAAIILCG359 DRPGLMNVPR369 VEAIQDTILR 379 ALEFHLQANH389 PDAQYLFPKL399 LQKMADLRQL409 VTEHAQMMQR419 IKKTETETSL 429 HPLLQEIYKD439
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7V1 or .7V12 or .7V13 or :37V1;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:303 or .A:304 or .A:305 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
4.304
LEU219
3.197
GLU223
4.417
TRP228
3.231
VAL245
3.483
PHE246
3.220
ARG248
3.081
CYS249
2.680
GLN250
3.049
THR252
2.647
THR253
2.572
THR256
3.829
HIS287
2.768
ILE290
2.794
PHE291
3.657
LEU294
3.137
ILE297
4.254
|
|||||
| Ligand Name: 6-[2-({benzyl[4-(Furan-3-Yl)benzene-1-Carbonyl]amino}methyl)phenoxy]hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 15 | PDB:5U40 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [5] |
| PDB Sequence |
DLKAFSKHIY
183 NAYLKNFNMT193 KKKARSILTA209 PFVIHDIETL219 WQAEKGLVWL231 VNGLPPYKEI 241 SVHVFYRCQC251 TTVETVRELT261 EFAKSIPSFS271 SLFLNDQVTL281 LKYGVHEAIF 291 AMLASIVNKD301 GLLVANGSGF311 VTREFLRSLR321 KPFSDIIEPK331 FEFAVKFNAL 341 ELDDSDLALF351 IAAIILCGDR361 PGLMNVPRVE371 AIQDTILRAL381 EFHLQANHPD 391 AQYLFPKLLQ401 KMADLRQLVT411 EHAQMMQRIK421 KTETETSLHP431 LLQEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7UD or .7UD2 or .7UD3 or :37UD;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:290 or .A:291 or .A:294 or .A:295 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:306 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:335 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.680
LEU219
2.558
GLU223
4.079
TRP228
2.648
HIS244
4.377
VAL245
2.631
PHE246
2.493
ARG248
2.234
CYS249
2.459
GLN250
2.287
THR252
2.364
THR253
2.053
HIS287
2.027
ILE290
3.425
PHE291
2.479
LEU294
2.585
ALA295
3.515
ILE297
2.339
VAL298
2.484
|
|||||
| Ligand Name: 6-[2-({[4-(Furan-3-Yl)benzene-1-Carbonyl](Propan-2-Yl)amino}methyl)phenoxy]hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 3 | PDB:5U3S | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [5] |
| PDB Sequence |
PQVADLKAFS
179 KHIYNAYLKN189 FNMTKKKARS199 ILTGKASHTA209 PFVIHDIETL219 WQAEKGLVWK 229 QLVNGLPPYK239 EISVHVFYRC249 QCTTVETVRE259 LTEFAKSIPS269 FSSLFLNDQV 279 TLLKYGVHEA289 IFAMLASIVN299 KDGLLVANGS309 GFVTREFLRS319 LRKPFSDIIE 329 PKFEFAVKFN339 ALELDDSDLA349 LFIAAIILCG359 DRPGLMNVPR369 VEAIQDTILR 379 ALEFHLQANH389 PDAQYLFPKL399 LQKMADLRQL409 VTEHAQMMQR419 IKKTETETSL 429 HPLLQEIYKD439 M
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7V4 or .7V42 or .7V43 or :37V4;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:306 or .A:312 or .A:316 or .A:317 or .A:320 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.664
LEU219
2.929
GLU223
4.467
TRP228
2.627
HIS244
4.614
VAL245
2.554
PHE246
2.707
ARG248
2.599
CYS249
2.048
GLN250
2.643
THR252
2.104
THR253
2.191
THR256
3.814
HIS287
2.804
ILE290
2.521
PHE291
2.874
LEU294
2.320
ILE297
3.532
VAL298
4.706
|
|||||
| Ligand Name: 6-[2-({cyclopentyl[4-(Furan-2-Yl)benzene-1-Carbonyl]amino}methyl)phenoxy]hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 5 | PDB:5U3U | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [5] |
| PDB Sequence |
VADLKAFSKH
181 IYNAYLKNFN191 MTKKKARSIL201 TAPFVIHDIE217 TLWQAEKVWG234 LPPYKEISVH 244 VFYRCQCTTV254 ETVRELTEFA264 KSIPSFSSLF274 LNDQVTLLKY284 GVHEAIFAML 294 ASIVNKDGLL304 VANGSGFVTR314 EFLRSLRKPF324 SDIIEPKFEF334 AVKFNALELD 344 DSDLALFIAA354 IILCGDRPGL364 MNVPRVEAIQ374 DTILRALEFH384 LQANHPDAQY 394 LFPKLLQKMA404 DLRQLVTEHA414 QMMQRIKKTE424 TETSLHPLLQ434 EIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7TV or .7TV2 or .7TV3 or :37TV;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
4.235
LEU219
2.728
GLU223
4.385
TRP228
2.994
HIS244
4.858
VAL245
3.375
PHE246
2.834
ARG248
3.187
CYS249
2.566
GLN250
3.217
THR252
2.403
THR253
2.687
THR256
3.329
HIS287
3.051
ILE290
2.606
PHE291
3.659
LEU294
3.267
|
|||||
| Ligand Name: 6-[2-({cyclopropyl[4-(Pyridin-3-Yl)benzene-1-Carbonyl]amino}methyl)phenoxy]hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 8 | PDB:5U3X | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [5] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 GKASHTAPFV212 IHDIETLWQA222 EKGLVWGLPP 237 YKEISVHVFY247 RCQCTTVETV257 RELTEFAKSI267 PSFSSLFLND277 QVTLLKYGVH 287 EAIFAMLASI297 VNKDGLLVAN307 GSGFVTREFL317 RSLRKPFSDI327 IEPKFEFAVK 337 FNALELDDSD347 LALFIAAIIL357 CGDRPGLMNV367 PRVEAIQDTI377 LRALEFHLQA 387 NHPDAQYLFP397 KLLQKMADLR407 QLVTEHAQMM417 QRIKKTETET427 SLHPLLQEIY 437 KD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7U4 or .7U42 or .7U43 or :37U4;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:228 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
4.024
LEU219
2.979
GLU223
3.865
TRP228
2.995
VAL245
3.416
PHE246
2.813
ARG248
3.249
CYS249
2.678
GLN250
3.424
THR252
2.206
THR253
2.635
THR256
3.970
HIS287
2.566
ILE290
2.711
PHE291
3.571
LEU294
3.227
ILE297
4.333
|
|||||
| Ligand Name: 6-(2-{[cyclopropyl(2'-Fluoro[1,1'-Biphenyl]-4-Carbonyl)amino]methyl}phenoxy)hexanoic Acid | Ligand Info | |||||
| Structure Description | Human PPARdelta ligand-binding domain in complexed with specific agonist 13 | PDB:5U44 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [5] |
| PDB Sequence |
DLKAFSKHIY
183 NAYLKNFNMT193 KKKARSILTG203 KASHTAPFVI213 HDIETLWQAE223 KGGLPPYKEI 241 SVHVFYRCQC251 TTVETVRELT261 EFAKSIPSFS271 SLFLNDQVTL281 LKYGVHEAIF 291 AMLASIVNKD301 GLLVANGSGF311 VTREFLRSLR321 KPFSDIIEPK331 FEFAVKFNAL 341 ELDDSDLALF351 IAAIILCGDR361 PGLMNVPRVE371 AIQDTILRAL381 EFHLQANHPD 391 AQYLFPKLLQ401 KMADLRQLVT411 EHAQMMQRIK421 KTETETSLHP431 LLQEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7SV or .7SV2 or .7SV3 or :37SV;style chemicals stick;color identity;select .A:213 or .A:219 or .A:223 or .A:244 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:256 or .A:287 or .A:290 or .A:291 or .A:294 or .A:297 or .A:298 or .A:303 or .A:304 or .A:305 or .A:306 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:329 or .A:331 or .A:332 or .A:413 or .A:417 or .A:429 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.483
LEU219
2.340
GLU223
4.375
HIS244
4.391
VAL245
2.296
PHE246
2.626
ARG248
2.684
CYS249
2.313
GLN250
2.704
THR252
2.235
THR253
2.206
THR256
4.282
HIS287
1.773
ILE290
2.594
PHE291
2.909
LEU294
2.242
ILE297
3.423
VAL298
4.596
|
|||||
| Ligand Name: [(4-{butyl[2-Methyl-4'-(Methylsulfanyl)biphenyl-3-Yl]sulfamoyl}naphthalen-1-Yl)oxy]acetic Acid | Ligand Info | |||||
| Structure Description | PPARd complexed with a phenoxyacetic acid partial agonist | PDB:3PEQ | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [20] |
| PDB Sequence |
ADLKAFSKHI
218 YNAYLKNFNM228 TKKKARSILT238 APFVIHDIET254 LWQAEKGLVW264 LPPYKEISVH 280 VFYRCQCTTV290 ETVRELTEFA300 KSIPSFSSLF310 LNDQVTLLKY320 GVHEAIFAML 330 ASIVNKDGLL340 VANGSGFVTR350 EFLRSLRKPF360 SDIIEPKFEF370 AVKFNALELD 380 DSDLALFIAA390 IILCGDRPGL400 MNVPRVEAIQ410 DTILRALEFH420 LQANHPDAQY 430 LFPKLLQKMA440 DLRQLVTEHA450 QMMQRIKKTE460 TETSLHPLLQ470 EIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3EQ or .3EQ2 or .3EQ3 or :33EQ;style chemicals stick;color identity;select .A:249 or .A:255 or .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:327 or .A:330 or .A:334 or .A:339 or .A:341 or .A:348 or .A:352 or .A:353 or .A:360 or .A:363 or .A:364 or .A:367 or .A:368 or .A:449 or .A:453 or .A:456 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
4.431
LEU255
3.864
TRP264
3.659
VAL281
3.767
PHE282
3.442
ARG284
3.883
CYS285
3.292
GLN286
4.652
THR288
4.634
THR289
3.303
HIS323
2.844
PHE327
3.507
LEU330
3.436
VAL334
3.822
LEU339
3.918
|
|||||
| Ligand Name: 2-({[3-(3,4-Dihydroisoquinolin-2(1h)-Ylsulfonyl)phenyl]carbonyl}amino)benzoic Acid | Ligand Info | |||||
| Structure Description | PPARdelta complexed with an anthranilic acid partial agonist | PDB:3DY6 | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [21] |
| PDB Sequence |
VADLKAFSKH
217 IYNAYLKNFN227 MTKKKARSIL237 TAPFVIHDIE253 TLWQAEKGLV263 WGLPPYKEIS 278 VHVFYRCQCT288 TVETVRELTE298 FAKSIPSFSS308 LFLNDQVTLL318 KYGVHEAIFA 328 MLASIVNKDG338 LLVANGSGFV348 TREFLRSLRK358 PFSDIIEPKF368 EFAVKFNALE 378 LDDSDLALFI388 AAIILCGDRP398 GLMNVPRVEA408 IQDTILRALE418 FHLQANHPDA 428 QYLFPKLLQK438 MADLRQLVTE448 HAQMMQRIKK458 TETETSLHPL468 LQEIYKD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DY6 or .DY62 or .DY63 or :3DY6;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: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:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP264
3.704
VAL281
3.673
PHE282
3.928
ARG284
3.256
CYS285
3.379
GLN286
4.087
THR288
2.792
THR289
3.409
HIS323
4.071
ILE326
4.072
PHE327
3.323
LEU330
3.352
|
|||||
| Ligand Name: 3,6,9,12,15,18,21,24,27,30,33,36,39-Tridecaoxahentetracontane-1,41-diol | Ligand Info | |||||
| Structure Description | Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd)LBD in Complex with DN003316 | PDB:6A6P | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [22] |
| PDB Sequence |
QVADLKAFSK
180 HIYNAYLKNF190 NMTKKKARSI200 LTGKASHTAP210 FVIHDIETLW220 QAEKGLVWNG 234 LPPYKEISVH244 VFYRCQCTTV254 ETVRELTEFA264 KSIPSFSSLF274 LNDQVTLLKY 284 GVHEAIFAML294 ASIVNKDGLL304 VANGSGFVTR314 EFLRSLRKPF324 SDIIEPKFEF 334 AVKFNALELD344 DSDLALFIAA354 IILCGDRPGL364 MNVPRVEAIQ374 DTILRALEFH 384 LQANHPDAQY394 LFPKLLQKMA404 DLRQLVTEHA414 QMMQRIKKTE424 TETSLHPLLQ 434 EIYKDM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PE3 or .PE32 or .PE33 or :3PE3;style chemicals stick;color identity;select .A:234 or .A:235 or .A:236 or .A:247 or .A:248 or .A:250 or .A:251 or .A:254 or .A:257 or .A:258 or .A:261 or .A:279 or .A:282 or .A:283 or .A:428 or .A:429 or .A:430 or .A:431 or .A:432 or .A:435 or .A:436 or .A:438; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY234
3.890
LEU235
4.032
PRO236
2.384
TYR247
2.837
ARG248
4.733
GLN250
3.146
CYS251
2.393
VAL254
3.817
VAL257
3.773
ARG258
3.227
THR261
2.444
|
|||||
| Ligand Name: {2-Methyl-4-[({5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl}methyl)sulfanyl]phenoxy}acetic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd)LBD in Complex with DN003316 | PDB:6A6P | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [22] |
| PDB Sequence |
QVADLKAFSK
180 HIYNAYLKNF190 NMTKKKARSI200 LTGKASHTAP210 FVIHDIETLW220 QAEKGLVWNG 234 LPPYKEISVH244 VFYRCQCTTV254 ETVRELTEFA264 KSIPSFSSLF274 LNDQVTLLKY 284 GVHEAIFAML294 ASIVNKDGLL304 VANGSGFVTR314 EFLRSLRKPF324 SDIIEPKFEF 334 AVKFNALELD344 DSDLALFIAA354 IILCGDRPGL364 MNVPRVEAIQ374 DTILRALEFH 384 LQANHPDAQY394 LFPKLLQKMA404 DLRQLVTEHA414 QMMQRIKKTE424 TETSLHPLLQ 434 EIYKDM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9RF or .9RF2 or .9RF3 or :39RF;style chemicals stick;color identity;select .A:213 or .A:219 or .A:228 or .A:245 or .A:246 or .A:248 or .A:249 or .A:250 or .A:252 or .A:253 or .A:287 or .A:290 or .A:291 or .A:294 or .A:303 or .A:305 or .A:312 or .A:316 or .A:317 or .A:327 or .A:328 or .A:331 or .A:413 or .A:417 or .A:433 or .A:437; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE213
3.734
LEU219
4.205
TRP228
3.481
VAL245
3.277
PHE246
3.106
ARG248
3.547
CYS249
3.358
GLN250
3.704
THR252
3.139
THR253
2.562
HIS287
2.642
ILE290
4.128
PHE291
3.182
|
|||||
| Ligand Name: (2,3-Dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd) in Complex with a Full Agonist | PDB:3GZ9 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [23] |
| PDB Sequence |
QVADLKAFSK
216 HIYNAYLKNF226 NMTKKKARSI236 LTGKAAPFVI249 HDIETLWQAE259 KGLVWKGLPP 273 YKEISVHVFY283 RCQCTTVETV293 RELTEFAKSI303 PSFGSLFLND313 QVTLLKYGVH 323 EAIFAMLASL333 VNKDGLLVAN343 GSGFVTREFL353 RSLRKPFSDI363 IEPKFEFAVK 373 FNALELDDSD383 LALFIAAIIL393 CGDRPGLMNV403 PRVEAIQDTI413 LRALEFHLQA 423 NHPDAQYLFP433 KLLQKMADLR443 QLVTEHAQMM453 QRIKKTETET463 SLHPLLQEIY 473 KD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D32 or .D322 or .D323 or :3D32;style chemicals stick;color identity;select .A:249 or .A:255 or .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:327 or .A:330 or .A:334 or .A:339 or .A:341 or .A:348 or .A:352 or .A:353 or .A:363 or .A:364 or .A:367 or .A:368 or .A:371 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
3.749
LEU255
3.714
TRP264
3.973
VAL281
3.629
PHE282
3.411
ARG284
3.217
CYS285
3.702
GLN286
3.884
THR288
3.708
THR289
3.257
HIS323
2.573
PHE327
3.699
LEU330
3.759
VAL334
3.640
|
|||||
| Ligand Name: trans-Vaccenic acid | Ligand Info | |||||
| Structure Description | Human Nuclear Receptor-Ligand Complex 1 | PDB:2AWH | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [24] |
| PDB Sequence |
DLKAFSKHIY
219 NAYLKNFNMT229 KKKARSILTH243 TAPFVIHDIE253 TLWQAEKGLV263 WKEISVHVFY 283 RCQCTTVETV293 RELTEFAKSI303 PSFSSLFLND313 QVTLLKYGVH323 EAIFAMLASI 333 VNKDGLLVAN343 GSGFVTREFL353 RSLRKPFSDI363 IEPKFEFAVK373 FNALELDDSD 383 LALFIAAIIL393 CGDRPGLMNV403 PRVEAIQDTI413 LRALEFHLQA423 NHPDAQQLFP 433 KLLQKMADLR443 QLVTEHAQMM453 QRIKKTETET463 SLHPLLQEIY473 KDMY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VCA or .VCA2 or .VCA3 or :3VCA;style chemicals stick;color identity;select .A:255 or .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: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 #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.367
TRP264
4.208
VAL281
3.929
PHE282
4.177
ARG284
3.754
CYS285
4.021
GLN286
3.800
THR288
3.630
THR289
2.449
HIS323
2.786
PHE327
4.010
LEU330
4.181
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Functional and Structural Insights into Human PPARAlpha/Delta/Gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate. Int J Mol Sci. 2022 Apr 25;23(9):4726. | ||||
| REF 2 | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol Cell. 1999 Mar;3(3):397-403. | ||||
| REF 3 | Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent. Proc Natl Acad Sci U S A. 2009 Jan 6;106(1):262-7. | ||||
| REF 4 | Structural insights into human peroxisome proliferator activated receptor delta (PPAR-delta) selective ligand binding. PLoS One. 2012;7(5):e33643. | ||||
| REF 5 | Structural basis for specific ligation of the peroxisome proliferator-activated receptor Delta. Proc Natl Acad Sci U S A. 2017 Mar 28;114(13):E2563-E2570. | ||||
| REF 6 | Alteration of a single amino acid in peroxisome proliferator-activated receptor-alpha (PPAR alpha) generates a PPAR delta phenotype. Mol Endocrinol. 2000 May;14(5):733-40. | ||||
| REF 7 | PPAR-Delta Activation Contributes to Neuroprotectio Against Thapsigargin-Induced SH-SY5Y Cell Death | ||||
| REF 8 | Design, synthesis, and the X-ray co-crystal structure of Highly Potent, Selective, and Orally Bioavailable, Novel Peroxisome Proliferator-Activated Receptor delta Agonists | ||||
| REF 9 | Sulfonylthiadiazoles with an unusual binding mode as partial dual peroxisome proliferator-activated receptor (PPAR) Gamma/Delta agonists with high potency and in?vivo efficacy. ChemMedChem. 2011 Apr 4;6(4):633-53. | ||||
| REF 10 | 3,4,5-Trisubstituted isoxazoles as novel PPARdelta agonists. Part 2. Bioorg Med Chem Lett. 2006 Nov 1;16(21):5488-92. | ||||
| REF 11 | Discovery of isoindoline and tetrahydroisoquinoline derivatives as potent, selective PPAR agonists. Bioorg Med Chem Lett. 2011 Jan 1;21(1):492-6 | ||||
| REF 12 | Design of a partial PPARdelta agonist. Bioorg Med Chem Lett. 2007 Aug 15;17(16):4625-9. | ||||
| REF 13 | Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPARAlpha/Delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis. J Med Chem. 2022 Feb 10;65(3):2571-2592. | ||||
| REF 14 | Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist. J Biol Chem. 2011 Sep 9;286(36):31473-9. | ||||
| REF 15 | Crystal structures of the ligand-binding domain of human peroxisome proliferator-activated receptor delta in complexes with phenylpropanoic acid derivatives and a pyridine carboxylic acid derivative.. doi:10.1107/S2053230X22000449. | ||||
| REF 16 | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures. Acta Crystallogr D Biol Crystallogr. 2009 Aug;65(Pt 8):786-95. | ||||
| REF 17 | Novel highly selective peroxisome proliferator-activated receptor Delta (PPARDelta) modulators with pharmacokinetic properties suitable for once-daily oral dosing. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5230-5234. | ||||
| REF 18 | Selective PPARDelta Modulators Improve Mitochondrial Function: Potential Treatment for Duchenne Muscular Dystrophy (DMD). ACS Med Chem Lett. 2018 Jul 31;9(9):935-940. | ||||
| REF 19 | Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD | ||||
| REF 20 | Phenoxyacetic acids as PPARDelta partial agonists: synthesis, optimization, and in vivo efficacy. Bioorg Med Chem Lett. 2011 Apr 15;21(8):2345-50. | ||||
| REF 21 | Discovery of a novel class of PPARdelta partial agonists. Bioorg Med Chem Lett. 2008 Sep 15;18(18):5018-22. | ||||
| REF 22 | Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd)LBD in Complex with DN003316 | ||||
| REF 23 | Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma. Bioorg Med Chem Lett. 2009 Jul 1;19(13):3550-4. | ||||
| REF 24 | Recombinant human PPAR-beta/delta ligand-binding domain is locked in an activated conformation by endogenous fatty acids. J Mol Biol. 2006 Mar 3;356(4):1005-13. | ||||
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