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 | Arachidonic acid | Ligand Info | |||
| Canonical SMILES | CCCCCC=CCC=CCC=CCC=CCCCC(=O)O | ||||
| InChI | 1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- | ||||
| InChIKey | YZXBAPSDXZZRGB-DOFZRALJSA-N | ||||
| PubChem Compound ID | 444899 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6MCZ Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Arachidonic Acid | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| 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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LEU228
3.630
ILE281
4.917
PHE282
4.879
GLY284
4.106
CYS285
3.214
GLN286
4.540
ARG288
3.302
SER289
2.780
HIS323
2.974
ILE326
4.840
TYR327
4.453
LEU330
4.126
|
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| 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 | [1] |
| 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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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPARGamma. Elife. 2018 Dec 21;7:e43320. | ||||
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