2025-10-04_00000099
|
ligand
|
9GWX
Human PPAR-gamma ligand binding domain in complex with AKGO141;
X-ray diffraction 2.20Å
Protein #1
275 residues (96% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1IP8
InChI=1S/C28H17Cl3N2O4/c29-18-10-12-23-20(14-18)26(32-33(23)27(34)25-21(30)7-4-8-22(25)31)19-11-9-17(28(35)36)13-24(19)37-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,35,36)
InChI=1S/C28H17Cl3N2O4/c29-18-10-12-23-20(14-18)26(32-33(23)27(34)25-21(30)7-4-8-22(25)31)19-11-9-17(28(35)36)13-24(19)37-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,35,36)
SMILES: c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)Cl)Cl)C(=O)O
c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)Cl)Cl)C(=O)O
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%