2025-10-04_00000078
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ligand
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9GW3
Human PPAR-gamma ligand binding domain in complex with LW56;
X-ray diffraction 2.00Å
Protein #1
275 residues (96% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1IPW
InChI=1S/C30H20ClF3N2O4/c1-17-10-13-24-21(14-17)27(35-36(24)28(37)26-22(30(32,33)34)8-5-9-23(26)31)20-12-11-19(29(38)39)15-25(20)40-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,38,39)
InChI=1S/C30H20ClF3N2O4/c1-17-10-13-24-21(14-17)27(35-36(24)28(37)26-22(30(32,33)34)8-5-9-23(26)31)20-12-11-19(29(38)39)15-25(20)40-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,38,39)
SMILES: Cc1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4OCc5ccccc5)C(=O)O
Cc1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4OCc5ccccc5)C(=O)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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