2025-10-04_00000103
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ligand
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9GX2
Human PPAR-gamma ligand binding domain in complex with AKGO82;
X-ray diffraction 2.35Å
Protein #1
273 residues (96% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKD
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKD
Non polymer #2
A1IP5
InChI=1S/C30H17Cl2F3N2O6/c31-18-8-10-23-20(13-18)26(36-37(23)27(38)25-21(30(33,34)35)5-2-6-22(25)32)19-9-7-17(29(41)42)12-24(19)43-14-15-3-1-4-16(11-15)28(39)40/h1-13H,14H2,(H,39,40)(H,41,42)
InChI=1S/C30H17Cl2F3N2O6/c31-18-8-10-23-20(13-18)26(36-37(23)27(38)25-21(30(33,34)35)5-2-6-22(25)32)19-9-7-17(29(41)42)12-24(19)43-14-15-3-1-4-16(11-15)28(39)40/h1-13H,14H2,(H,39,40)(H,41,42)
SMILES: c1cc(cc(c1)C(=O)O)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
c1cc(cc(c1)C(=O)O)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%