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)