2026-03-21_00000142
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ligand
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9QG4
Human PPAR-gamma ligand binding domain in complex with LW130;
X-ray diffraction 1.90Å
Protein #1
275 residues (95% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1I6O
InChI=1S/C32H22Cl2F3N3O5/c1-2-38-29(41)18-6-3-5-17(13-18)16-45-26-14-19(31(43)44)9-11-21(26)28-22-15-20(33)10-12-25(22)40(39-28)30(42)27-23(32(35,36)37)7-4-8-24(27)34/h3-15H,2,16H2,1H3,(H,38,41)(H,43,44)
InChI=1S/C32H22Cl2F3N3O5/c1-2-38-29(41)18-6-3-5-17(13-18)16-45-26-14-19(31(43)44)9-11-21(26)28-22-15-20(33)10-12-25(22)40(39-28)30(42)27-23(32(35,36)37)7-4-8-24(27)34/h3-15H,2,16H2,1H3,(H,38,41)(H,43,44)
SMILES: CCNC(=O)c1cccc(c1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
CCNC(=O)c1cccc(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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