2025-10-11_00000045
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ligand
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9GZC
Human PPAR-gamma ligand binding domain in complex with AKGO142;
X-ray diffraction 2.30Å
Protein #1
275 residues (96% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1IQ3
InChI=1S/C30H19Cl2F3N2O5/c1-41-19-5-2-4-16(12-19)15-42-25-13-17(29(39)40)8-10-20(25)27-21-14-18(31)9-11-24(21)37(36-27)28(38)26-22(30(33,34)35)6-3-7-23(26)32/h2-14H,15H2,1H3,(H,39,40)
InChI=1S/C30H19Cl2F3N2O5/c1-41-19-5-2-4-16(12-19)15-42-25-13-17(29(39)40)8-10-20(25)27-21-14-18(31)9-11-24(21)37(36-27)28(38)26-22(30(33,34)35)6-3-7-23(26)32/h2-14H,15H2,1H3,(H,39,40)
SMILES: COc1cccc(c1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
COc1cccc(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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