2025-10-04_00000089
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ligand
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9GWI
Human PPAR-gamma ligand binding domain in complex with LW23;
X-ray diffraction 2.20Å
Protein #1
275 residues (95% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1IPY
InChI=1S/C29H17Cl2F3N2O4/c30-18-10-12-24-21(14-18)26(35-36(24)27(37)25-22(29(32,33)34)7-4-8-23(25)31)20-11-9-16(28(38)39)13-17(20)15-40-19-5-2-1-3-6-19/h1-14H,15H2,(H,38,39)
InChI=1S/C29H17Cl2F3N2O4/c30-18-10-12-24-21(14-18)26(35-36(24)27(37)25-22(29(32,33)34)7-4-8-23(25)31)20-11-9-16(28(38)39)13-17(20)15-40-19-5-2-1-3-6-19/h1-14H,15H2,(H,38,39)
SMILES: c1ccc(cc1)OCc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
c1ccc(cc1)OCc2cc(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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