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

Summary for 3NTY

DescriptorAldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 5-chloro-4-hydroxybiphenyl-3-carboxylic acid, ... (5 entities in total)
Functional Keywordsaldo-keto reductase, 20 alpha hydroxysteroid dehydrogenase, akr1c1, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm Q04828
Total number of polymer chains1
Total molecular weight37896.81
Dhagat, U.,El-Kabbani, O. (deposition date: 2010-07-06, release date: 2011-04-13, Last modification date: 2011-07-13)
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
PubMed: 21414777 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2011.01.076
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2191302.1%1.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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