2025-10-04_00000087
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ligand
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9GWF
Human PPAR-gamma ligand binding domain in complex with LW100;
X-ray diffraction 2.40Å
Protein #1
275 residues (94% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1IPT
InChI=1S/C31H20Cl2F3N3O5/c1-37-28(40)17-5-2-4-16(12-17)15-44-25-13-18(30(42)43)8-10-20(25)27-21-14-19(32)9-11-24(21)39(38-27)29(41)26-22(31(34,35)36)6-3-7-23(26)33/h2-14H,15H2,1H3,(H,37,40)(H,42,43)
InChI=1S/C31H20Cl2F3N3O5/c1-37-28(40)17-5-2-4-16(12-17)15-44-25-13-18(30(42)43)8-10-20(25)27-21-14-19(32)9-11-24(21)39(38-27)29(41)26-22(31(34,35)36)6-3-7-23(26)33/h2-14H,15H2,1H3,(H,37,40)(H,42,43)
SMILES: CNC(=O)c1cccc(c1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
CNC(=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%