Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T58921 | Target Info | |||
| Target Name | Peroxisome proliferator-activated receptor gamma (PPAR-gamma) | ||||
| Synonyms | PPAR-gamma; Nuclear receptor subfamily 1 group C member 3; NR1C3 | ||||
| Target Type | Successful Target | ||||
| Gene Name | PPARG | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-chloro-5-nitro-N-phenylbenzamide | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl | ||||
| InChI | 1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17) | ||||
| InChIKey | DNTSIBUQMRRYIU-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 644213 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3E00 Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with GW9662, 9-cis Retinoic Acid and NCOA2 Peptide | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [1] |
| PDB Sequence |
MAIECRVCGD
116 KASGFHYGVH126 ACEGCKGFFR136 RTIRLKLIYD146 RCDLNCRIHK156 KSRNKCQYCR 166 FQKCLAVGMS176 HNAIRFGRMP186 QAEKEKLLAE196 ISSDIDQLNP206 ESADLRALAK 216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFQS 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DLY
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| PDB ID: 6AVI Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Nonanoic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [2] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKDL |
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| PDB ID: 6MD2 Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Arachidonic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [2] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGTDKSPFV248 IYDMNSLMMG258 EDKIKKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYK |
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| PDB ID: 3B0R Human PPAR gamma ligand binding dmain complexed with GW9662 in a covalent bonded form | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [3] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKS 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GW9 or .GW92 or .GW93 or :3GW9;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of the intact PPAR-gamma-RXR- nuclear receptor complex on DNA. Nature. 2008 Nov 20;456(7220):350-6. | ||||
| REF 2 | Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPARGamma. Elife. 2018 Dec 21;7:e43320. | ||||
| REF 3 | Human PPAR gamma ligand binding dmain complexed with GW9662 in a covalent bonded form | ||||
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