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 | 3-[5-(2-Nitropent-1-En-1-Yl)furan-2-Yl]benzoic Acid | Ligand Info | |||
| Canonical SMILES | CCCC(=CC1=CC=C(O1)C2=CC(=CC=C2)C(=O)O)[N+](=O)[O-] | ||||
| InChI | 1S/C16H15NO5/c1-2-4-13(17(20)21)10-14-7-8-15(22-14)11-5-3-6-12(9-11)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19)/b13-10- | ||||
| InChIKey | IRHZCQDCMUWUKV-RAXLEYEMSA-N | ||||
| PubChem Compound ID | 6006216 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3ADX Human PPARgamma ligand-binding domain in complex with indomethacin and nitro-233 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 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
|
|||||
|
|
LEU255
3.979
PHE264
3.084
ILE267
3.290
THR268
4.933
ARG280
4.697
ILE281
3.072
GLY284
4.558
CYS285
1.849
ARG288
3.486
SER289
4.231
ALA292
4.744
|
|||||
| PDB ID: 2ZK5 Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with nitro-233 | ||||||
| Method | X-ray diffraction | Resolution | 2.45 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
|
|||||
|
|
LYS263
3.927
PHE264
3.663
ILE267
3.699
ILE281
4.086
GLY284
4.183
CYS285
1.838
ARG288
2.658
SER289
3.689
ALA292
4.385
ILE326
4.066
|
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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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