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 | Myristic acid | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCCC(=O)O | ||||
| InChI | 1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16) | ||||
| InChIKey | TUNFSRHWOTWDNC-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 11005 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5GTO Human PPARgamma ligand binding dmain complexed with S35 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLKEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY 320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF 370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ 420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ 470 EIYKDLY
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| PDB ID: 5GTP The agonist-free structure of human PPARgamma ligand binding domain in the presence of the SRC-1 coactivator peptide | ||||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [1] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for differential activities of enantiomeric PPARGamma agonists: Binding of S35 to the alternate site. Biochim Biophys Acta Proteins Proteom. 2017 Jun;1865(6):674-681. | ||||
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