2025-10-11_00000044
|
ligand
|
9GZB
Human PPAR-gamma ligand binding domain in complex with AKGO52;
X-ray diffraction 2.20Å
Protein #1
275 residues (93% resolved)
Raw Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Canonical Sequence ...
GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
Non polymer #2
A1IQ4
InChI=1S/C31H21Cl2F3N2O6/c1-42-19-10-16(11-20(14-19)43-2)15-44-26-12-17(30(40)41)6-8-21(26)28-22-13-18(32)7-9-25(22)38(37-28)29(39)27-23(31(34,35)36)4-3-5-24(27)33/h3-14H,15H2,1-2H3,(H,40,41)
InChI=1S/C31H21Cl2F3N2O6/c1-42-19-10-16(11-20(14-19)43-2)15-44-26-12-17(30(40)41)6-8-21(26)28-22-13-18(32)7-9-25(22)38(37-28)29(39)27-23(31(34,35)36)4-3-5-24(27)33/h3-14H,15H2,1-2H3,(H,40,41)
SMILES: COc1cc(cc(c1)OC)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
COc1cc(cc(c1)OC)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%