2026-03-21_00000145
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ligand
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9QGJ
Human PPAR-gamma ligand binding domain in complex with LW90;
X-ray diffraction 2.20Å
Protein #1
275 residues (95% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1I6R
InChI=1S/C33H30Cl2F3N3O6/c1-32(2,3)47-31(45)40-13-5-6-18(16-40)17-46-26-14-19(30(43)44)9-11-21(26)28-22-15-20(34)10-12-25(22)41(39-28)29(42)27-23(33(36,37)38)7-4-8-24(27)35/h4,7-12,14-15,18H,5-6,13,16-17H2,1-3H3,(H,43,44)/t18-/m0/s1
InChI=1S/C33H30Cl2F3N3O6/c1-32(2,3)47-31(45)40-13-5-6-18(16-40)17-46-26-14-19(30(43)44)9-11-21(26)28-22-15-20(34)10-12-25(22)41(39-28)29(42)27-23(33(36,37)38)7-4-8-24(27)35/h4,7-12,14-15,18H,5-6,13,16-17H2,1-3H3,(H,43,44)/t18-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](C1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
CC(C)(C)OC(=O)N1CCC[C@@H](C1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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