2025-10-04_00000079
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ligand
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9GW4
Human PPAR-gamma ligand binding domain in complex with LW78;
X-ray diffraction 2.20Å
Protein #1
275 residues (95% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1IPS
InChI=1S/C31H21Cl2F3N2O6/c1-42-24-8-3-5-17(28(24)43-2)15-44-25-13-16(30(40)41)9-11-19(25)27-20-14-18(32)10-12-23(20)38(37-27)29(39)26-21(31(34,35)36)6-4-7-22(26)33/h3-14H,15H2,1-2H3,(H,40,41)
InChI=1S/C31H21Cl2F3N2O6/c1-42-24-8-3-5-17(28(24)43-2)15-44-25-13-16(30(40)41)9-11-19(25)27-20-14-18(32)10-12-23(20)38(37-27)29(39)26-21(31(34,35)36)6-4-7-22(26)33/h3-14H,15H2,1-2H3,(H,40,41)
SMILES: COc1cccc(c1OC)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
COc1cccc(c1OC)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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