3NTY

Crystal structure of AKR1C1 in complex with NADP and 5-Phenyl,3-chlorosalicylic acid

Summary for 3NTY

Entry DOI	10.2210/pdb3nty/pdb
Descriptor	Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-chloro-4-hydroxybiphenyl-3-carboxylic acid, ... (5 entities in total)
Functional Keywords	aldo-keto reductase, 20 alpha hydroxysteroid dehydrogenase, akr1c1, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: Q04828
Total number of polymer chains	1
Total formula weight	37896.81
Authors	Dhagat, U.,El-Kabbani, O. (deposition date: 2010-07-06, release date: 2011-04-13, Last modification date: 2023-11-01)
Primary citation	El-Kabbani, O.,Dhagat, U.,Soda, M.,Endo, S.,Matsunaga, T.,Hara, A. Probing the inhibitor selectivity pocket of human 20 alpha-hydroxysteroid dehydrogenase (AKR1C1) with X-ray crystallography and site-directed mutagenesis Bioorg.Med.Chem.Lett., 21:2564-2567, 2011 Cited by PubMed: 21414777 DOI: 10.1016/j.bmcl.2011.01.076 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.87 Å)

Structure validation