2026-03-21_00000143
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ligand
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9QG5
Human PPAR-gamma ligand binding domain in complex with LW112;
X-ray diffraction 2.30Å
Protein #1
275 residues (95% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1I6P
InChI=1S/C28H22Cl2F3N3O4/c29-17-7-9-22-19(12-17)25(35-36(22)26(37)24-20(28(31,32)33)4-1-5-21(24)30)18-8-6-16(27(38)39)11-23(18)40-14-15-3-2-10-34-13-15/h1,4-9,11-12,15,34H,2-3,10,13-14H2,(H,38,39)/t15-/m0/s1
InChI=1S/C28H22Cl2F3N3O4/c29-17-7-9-22-19(12-17)25(35-36(22)26(37)24-20(28(31,32)33)4-1-5-21(24)30)18-8-6-16(27(38)39)11-23(18)40-14-15-3-2-10-34-13-15/h1,4-9,11-12,15,34H,2-3,10,13-14H2,(H,38,39)/t15-/m0/s1
SMILES: c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OC[C@H]5CCCNC5)C(=O)O)Cl)C(F)(F)F
c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OC[C@H]5CCCNC5)C(=O)O)Cl)C(F)(F)F
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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