2025-10-04_00000086
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ligand
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9GWE
Human PPAR-gamma ligand binding domain in complex with LW87;
X-ray diffraction 2.10Å
Protein #1
275 residues (95% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1IPV
InChI=1S/C30H16Cl2F6N2O5/c31-17-8-10-23-20(13-17)26(39-40(23)27(41)25-21(29(33,34)35)5-2-6-22(25)32)19-9-7-16(28(42)43)12-24(19)44-14-15-3-1-4-18(11-15)45-30(36,37)38/h1-13H,14H2,(H,42,43)
InChI=1S/C30H16Cl2F6N2O5/c31-17-8-10-23-20(13-17)26(39-40(23)27(41)25-21(29(33,34)35)5-2-6-22(25)32)19-9-7-16(28(42)43)12-24(19)44-14-15-3-1-4-18(11-15)45-30(36,37)38/h1-13H,14H2,(H,42,43)
SMILES: c1cc(cc(c1)OC(F)(F)F)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
c1cc(cc(c1)OC(F)(F)F)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%