4WRH
AKR1C3 complexed with breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide
Summary for 4WRH
Entry DOI | 10.2210/pdb4wrh/pdb |
Descriptor | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide, ... (6 entities in total) |
Functional Keywords | oxidoreductase, inhibitor, complex, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm: P42330 |
Total number of polymer chains | 1 |
Total formula weight | 39260.85 |
Authors | Squire, C.J.,Flanagan, J.U.,Yosaatmadja, Y. (deposition date: 2014-10-24, release date: 2014-11-05, Last modification date: 2023-09-27) |
Primary citation | Yosaatmadja, Y.,Ko, R.-W.,Flanagan, J.U.,Squire, C.J. Breakdown product of N-(tert-butyl)-2-(2-chloro-4-(((3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)amino)methyl)-6-methoxyphenoxy)acetamide trapped in active site of AKR1C3 To Be Published, |
Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
Download full validation report