Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Heptyl-Beta-D-Glucopyranoside | Ligand Info | |||
| Canonical SMILES | CCCCCCCOC1C(C(C(C(O1)CO)O)O)O | ||||
| InChI | 1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13-/m1/s1 | ||||
| InChIKey | NIDYWHLDTIVRJT-UJPOAAIJSA-N | ||||
| PubChem Compound ID | 448173 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7VWF Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic agonist TIPP204 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| 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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| PDB ID: 7VWG Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic alpha/delta dual agonist JKPL38 | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| 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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| PDB ID: 2ZNQ Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP401 | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [2] |
| 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
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| PDB ID: 2ZNP Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP204 | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [2] |
| PDB Sequence |
LKAFSKHIYN
220 AYLKNFNMTK230 KKARSILTGK240 ASHTAPFVIH250 DIETLWQAEK260 GLVLPPYKEI 277 SVHVFYRCQC287 TTVETVRELT297 EFAKSIPSFS307 SLFLNDQVTL317 LKYGVHEAIF 327 AMLASIVNKD337 GLLVANGSGF347 VTREFLRSLR357 KPFSDIIEPK367 FEFAVKFNAL 377 ELDDSDLALF387 IAAIILCGDR397 PGLMNVPRVE407 AIQDTILRAL417 EFHLQANHPD 427 AQYLFPKLLQ437 KMADLRQLVT447 EHAQMMQRIK457 KTETETSLHP467 LLQEIYKDM |
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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:293 or .A:297 or .A:315 or .A:318 or .A:319 or .A:468 or .A:471 or .A:472 or .A:474 or .A:475; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7VWE Human peroxisome proliferator-activated receptor (PPAR) delta ligand binding domain in complex with a synthetic partial agonist JK122 | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| 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 |
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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:293 or .A:297 or .A:315 or .A:318 or .A:319 or .A:468 or .A:471 or .A:472 or .A:474 or .A:475; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5U3Q Human PPARdelta ligand-binding domain in complexed with specific agonist 1 | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [3] |
| 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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5U3T Human PPARdelta ligand-binding domain in complexed with specific agonist 4 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [3] |
| 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 .B7G or .B7G2 or .B7G3 or :3B7G;style chemicals stick;color identity;select .A:257 or .A:258 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 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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| PDB ID: 5U42 Human PPARdelta ligand-binding domain in complexed with specific agonist 11 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [3] |
| 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
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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:229 or .A:230 or .A:234 or .A:235 or .A:236 or .A:247 or .A:250 or .A:251 or .A:252 or .A:254 or .A:255 or .A:257 or .A:258 or .A:261 or .A:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:282 or .A:283 or .A:286 or .A:428 or .A:429 or .A:430 or .A:431 or .A:432 or .A:435 or .A:436 or .A:438 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS229
4.627
GLN230
2.368
GLY234
4.984
LEU235
3.332
PRO236
2.078
TYR247
3.437
GLN250
2.301
CYS251
2.529
THR252
4.383
VAL254
2.283
GLU255
2.511
VAL257
2.817
ARG258
1.788
THR261
3.075
PHE274
2.492
LEU275
2.352
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| PDB ID: 5U3Z Human PPARdelta ligand-binding domain in complexed with specific agonist 10 | ||||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | No | [3] |
| 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
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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:230 or .A:234 or .A:235 or .A:236 or .A:247 or .A:248 or .A:250 or .A:251 or .A:252 or .A:254 or .A:255 or .A:257 or .A:258 or .A:261 or .A:279 or .A:282 or .A:283 or .A:286 or .A:428 or .A:429 or .A:430 or .A:431 or .A:432 or .A:434 or .A:435 or .A:436 or .A:438; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN230
2.400
GLY234
4.889
LEU235
2.810
PRO236
2.239
TYR247
2.801
ARG248
4.582
GLN250
2.380
CYS251
2.175
THR252
4.381
VAL254
2.468
GLU255
2.333
VAL257
2.737
ARG258
2.092
THR261
2.643
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| PDB ID: 5U3W Human PPARdelta ligand-binding domain in complexed with specific agonist 7 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [3] |
| 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
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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:261 or .A:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5U3V Human PPARdelta ligand-binding domain in complexed with specific agonist 6 | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [3] |
| 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
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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:261 or .A:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 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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| PDB ID: 5U3Y Human PPARdelta ligand-binding domain in complexed with specific agonist 9 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [3] |
| 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
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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:261 or .A:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5U43 Human PPARdelta ligand-binding domain in complexed with specific agonist 12 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [3] |
| 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
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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:229 or .A:230 or .A:234 or .A:235 or .A:236 or .A:247 or .A:248 or .A:250 or .A:251 or .A:252 or .A:254 or .A:255 or .A:257 or .A:258 or .A:261 or .A:279 or .A:282 or .A:283 or .A:286 or .A:428 or .A:429 or .A:430 or .A:431 or .A:432 or .A:433 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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LYS229
4.703
GLN230
2.377
GLY234
4.766
LEU235
3.049
PRO236
2.045
TYR247
2.927
ARG248
4.858
GLN250
2.724
CYS251
2.206
THR252
4.798
VAL254
2.327
GLU255
2.244
VAL257
2.671
ARG258
2.180
THR261
2.373
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| PDB ID: 5U3R Human PPARdelta ligand-binding domain in complexed with specific agonist 2 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [3] |
| 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
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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:261 or .A:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 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 #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5U45 Human PPARdelta ligand-binding domain in complexed with specific agonist 14 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [3] |
| 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
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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:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:283; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2B50 Human Nuclear Receptor-Ligand Complex 2 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| PDB Sequence |
LKAFSKHIYN
220 AYLKNFNMTK230 KKARSILTGK240 ASHTAPFVIH250 DIETLWQAEK260 GLVWKLPPYK 275 EISVHVFYRC285 QCTTVETVRE295 LTEFAKSIPS305 FSSLFLNDQV315 TLLKYGVHEA 325 IFAMLASIVN335 KDGLLVANGS345 GFVTREFLRS355 LRKPFSDIIE365 PKFEFAVKFN 375 ALELDDSDLA385 LFIAAIILCG395 DRPGLMNVPR405 VEAIQDTILR415 ALEFHLQANH 425 PDAQQLFPKL435 LQKMADLRQL445 VTEHAQMMQR455 IKKTETETSL465 HPLLQEIYKD 475 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 .B7G or .B7G2 or .B7G3 or :3B7G;style chemicals stick;color identity;select .A:293 or .A:297 or .A:310 or .A:311 or .A:312 or .A:313 or .A:315 or .A:316 or .A:318 or .A:319 or .A:468 or .A:471 or .A:472 or .A:474 or .A:475; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 5U3S Human PPARdelta ligand-binding domain in complexed with specific agonist 3 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| 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
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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: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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| PDB ID: 5U40 Human PPARdelta ligand-binding domain in complexed with specific agonist 15 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| 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 |
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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: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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| PDB ID: 5U46 Human PPARdelta ligand-binding domain in complexed with GW501516 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| 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 .B7G or .B7G2 or .B7G3 or :3B7G;style chemicals stick;color identity;select .A:257 or .A:261 or .A:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:282 or .A:283 or .A:286 or .A:432 or .A:435 or .A:436 or .A:438; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5U3U Human PPARdelta ligand-binding domain in complexed with specific agonist 5 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [3] |
| 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 |
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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: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 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5U3X Human PPARdelta ligand-binding domain in complexed with specific agonist 8 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [3] |
| 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
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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: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 #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5U44 Human PPARdelta ligand-binding domain in complexed with specific agonist 13 | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [3] |
| 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 |
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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:274 or .A:275 or .A:276 or .A:277 or .A:279 or .A:280 or .A:282 or .A:283 or .A:286 or .A:363 or .A:432 or .A:434 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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| PDB ID: 1Y0S Crystal structure of PPAR delta complexed with GW2331 | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [5] |
| 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 .B7G or .B7G2 or .B7G3 or :3B7G;style chemicals stick;color identity;select .A:293 or .A:297 or .A:315 or .A:318 or .A:319 or .A:468 or .A:471 or .A:472 or .A:474; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6A6P Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd)LBD in Complex with DN003316 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [6] |
| 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
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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:246 or .A:250 or .A:414 or .A:415 or .A:417 or .A:418 or .A:421 or .A:429 or .A:430 or .A:433 or .A:434 or .A:437 or .A:438 or .A:439 or .A:440; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3GZ9 Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd) in Complex with a Full Agonist | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [7] |
| 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
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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:293 or .A:297 or .A:315 or .A:318 or .A:319 or .A:468 or .A:471 or .A:472 or .A:474; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2AWH Human Nuclear Receptor-Ligand Complex 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [4] |
| 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 |
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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:310 or .A:311 or .A:312 or .A:313 or .A:315 or .A:316; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2BAW Human Nuclear Receptor-Ligand Complex 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [8] |
| PDB Sequence |
LKAFSKHIYN
220 AYLKNFNMTK230 KKARSILTKA241 PFVIHDIETL255 WQAEKGLVWK275 EISVHVFYRC 285 QCTTVETVRE295 LTEFAKSIPS305 FSSLFLNDQV315 TLLKYGVHEA325 IFAMLASIVN 335 KDGLLVANGS345 GFVTREFLRS355 LRKPFSDIIE365 PKFEFAVKFN375 ALELDDSDLA 385 LFIAAIILCG395 DRPGLMNVPR405 VEAIQDTILR415 ALEFHLQANH425 PDAQQLFPKL 435 LQKMADLRQL445 VTEHAQMMQR455 IKKTETETSL465 HPLLQEIYKD475 |
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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:293 or .A:297 or .A:310 or .A:311 or .A:312 or .A:313 or .A:315 or .A:316 or .A:318 or .A:319 or .A:468 or .A:471 or .A:472 or .A:474; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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 2 | 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 3 | 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 4 | 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. | ||||
| REF 5 | 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 6 | Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd)LBD in Complex with DN003316 | ||||
| REF 7 | Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma. Bioorg Med Chem Lett. 2009 Jul 1;19(13):3550-4. | ||||
| REF 8 | Reevaluation of the PPAR-beta/delta ligand binding domain model reveals why it exhibits the activated form. Mol Cell. 2006 Jan 6;21(1):1-2. | ||||
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