2025-10-11_00000046
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ligand
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9GZE
Human PPAR-gamma ligand binding domain in complex with AKGO72;
X-ray diffraction 2.20Å
Protein #1
274 residues (95% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDL
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDL
Non polymer #2
A1IRD
InChI=1S/C27H15Cl2F3N4O4/c28-15-6-8-20-17(12-15)24(35-36(20)25(37)23-18(27(30,31)32)3-1-4-19(23)29)16-7-5-14(26(38)39)11-21(16)40-13-22-33-9-2-10-34-22/h1-12H,13H2,(H,38,39)
InChI=1S/C27H15Cl2F3N4O4/c28-15-6-8-20-17(12-15)24(35-36(20)25(37)23-18(27(30,31)32)3-1-4-19(23)29)16-7-5-14(26(38)39)11-21(16)40-13-22-33-9-2-10-34-22/h1-12H,13H2,(H,38,39)
SMILES: c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ncccn5)C(=O)O)Cl)C(F)(F)F
c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ncccn5)C(=O)O)Cl)C(F)(F)F
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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