3C3U

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

Summary for 3C3U

DescriptorAldo-keto reductase family 1 member C1, ZINC ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total)
Functional Keywordsaldo-keto reductase, 20 alpha hydroxysteroid dehydrogenase, akr1c1, cytoplasm, nadp, oxidoreductase
Biological sourceHomo sapiens (Human)
Cellular locationCytoplasm Q04828
Total number of polymer chains1
Total molecular weight37855.16
Authors
Dhagat, U.,El-Kabbani, O. (deposition date: 2008-01-28, release date: 2008-08-26, Last modification date: 2011-07-13)
Primary citation
Dhagat, U.,Endo, S.,Sumii, R.,Hara, A.,El-Kabbani, O.
Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid
J.Med.Chem., 51:4844-4848, 2008
PubMed: 18620380 (PDB entries with the same primary citation)
DOI: 10.1021/jm8003575
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.8 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.21840.3%1.1%2.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3c3u
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Molmil generated image of 3c3u
rotated about x axis by 90°
Molmil generated image of 3c3u
rotated about y axis by 90°