Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H), citrate and acetate molecules

Summary for 1XJB

DescriptorAldo-keto reductase family 1 member C2, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (8 entities in total)
Functional Keywordshuman 3alphahds3; aldo-keto reductase; nadp; induce-fit mecanism, oxidoreductase
Biological sourceHomo sapiens (human)
Total number of polymer chains2
Total molecular weight76163.19
Couture, J.-F.,Pereira de Jesus-Tran, K.,Roy, A.-M.,Legrand, P.,Cantin, L.,Cote, P.-L.,Luu-The, V.,Labrie, F.,Breton, R. (deposition date: 2004-09-23, release date: 2005-06-21, Last modification date: 2019-07-24)
Primary citation
Couture, J.-F.,Roy, A.-M.,Cantin, L.,Legrand, P.,Luu-The, V.,Labrie, F.,Breton, R.
Comparison of crystal structures of human type 3 3alpha-hydroxysteroid dehydrogenase reveals an "induced-fit" mechanism and a conserved basic motif involved in the binding of androgen
Protein Sci., 14:1485-1497, 2005
PubMed: 15929998 (PDB entries with the same primary citation)
DOI: 10.1110/ps.051353205
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.19313 0.6% 1.6% 5.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution