2025-08-16_00000221
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ligand
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9GFU
Human PPAR-gamma ligand binding domain in complex with AKGO172;
X-ray diffraction 2.10Å
Protein #1
275 residues (95% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1IK6
InChI=1S/C32H21Cl2F3N2O6/c1-2-44-31(43)19-6-3-5-17(13-19)16-45-26-14-18(30(41)42)9-11-21(26)28-22-15-20(33)10-12-25(22)39(38-28)29(40)27-23(32(35,36)37)7-4-8-24(27)34/h3-15H,2,16H2,1H3,(H,41,42)
InChI=1S/C32H21Cl2F3N2O6/c1-2-44-31(43)19-6-3-5-17(13-19)16-45-26-14-18(30(41)42)9-11-21(26)28-22-15-20(33)10-12-25(22)39(38-28)29(40)27-23(32(35,36)37)7-4-8-24(27)34/h3-15H,2,16H2,1H3,(H,41,42)
SMILES: CCOC(=O)c1cccc(c1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
CCOC(=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
100%