2025-10-04_00000085
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ligand
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9GWC
Human PPAR-gamma ligand binding domain in complex with LW99;
X-ray diffraction 2.00Å
Protein #1
275 residues (96% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1IPX
InChI=1S/C28H21Cl2F3N2O5/c29-16-8-10-22-19(13-16)25(34-35(22)26(36)24-20(28(31,32)33)5-3-6-21(24)30)18-9-7-15(27(37)38)12-23(18)40-14-17-4-1-2-11-39-17/h3,5-10,12-13,17H,1-2,4,11,14H2,(H,37,38)/t17-/m0/s1
InChI=1S/C28H21Cl2F3N2O5/c29-16-8-10-22-19(13-16)25(34-35(22)26(36)24-20(28(31,32)33)5-3-6-21(24)30)18-9-7-15(27(37)38)12-23(18)40-14-17-4-1-2-11-39-17/h3,5-10,12-13,17H,1-2,4,11,14H2,(H,37,38)/t17-/m0/s1
SMILES: c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OC[C@@H]5CCCCO5)C(=O)O)Cl)C(F)(F)F
c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OC[C@@H]5CCCCO5)C(=O)O)Cl)C(F)(F)F
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%