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 | (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid | Ligand Info | |||
| Canonical SMILES | CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O | ||||
| InChI | 1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4+,10-8+,11-9-,17-14+ | ||||
| InChIKey | YGJTUEISKATQSM-KIFLIQHDSA-N | ||||
| PubChem Compound ID | 49867431 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3ADW Human PPARgamma ligand-binding domain in complex with 5-methoxy-indole acetate and 15-oxo-eicosatetraenoic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
|
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|
|
PHE226
4.309
LEU228
2.865
THR229
4.973
LEU255
4.485
PHE264
3.877
ILE267
3.408
THR268
3.204
ARG280
4.478
ILE281
3.370
GLY284
3.787
CYS285
1.861
ARG288
2.978
|
|||||
| PDB ID: 2ZK4 Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with 15-oxo-eicosatetraenoic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | No | [2] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
|
|||||
|
|
PHE264
3.646
ILE267
3.361
ILE281
3.724
GLY284
3.955
CYS285
1.848
ARG288
3.337
SER289
3.292
ALA292
4.188
ILE326
3.481
TYR327
4.205
LEU330
3.880
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The nuclear receptor PPAR individually responds to serotonin- and fatty acid-metabolites. EMBO J. 2010 Oct 6;29(19):3395-407. | ||||
| REF 2 | Structural insight into PPARgamma activation through covalent modification with endogenous fatty acids. J Mol Biol. 2009 Jan 9;385(1):188-99. | ||||
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