Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol

Summary for 3VGN

Related2INX 3FZW 3CPO 2PZW
DescriptorSteroid Delta-isomerase, 3-fluoro-4-nitrophenol (3 entities in total)
Functional Keywordshydrogen bond, ksi, enzyme catalysis, transition state, oxyanion hole, isomerase
Biological sourcePseudomonas putida
Total number of polymer chains2
Total molecular weight29409.23
Caaveiro, J.M.M.,Pybus, B.,Ringe, D.,Petsko, G.A.,Sigala, P.A. (deposition date: 2011-08-16, release date: 2012-08-22, Last modification date: 2017-11-22)
Primary citation
Sigala, P.A.,Fafarman, A.T.,Schwans, J.P.,Fried, S.D.,Fenn, T.D.,Caaveiro, J.M.M.,Pybus, B.,Ringe, D.,Petsko, G.A.,Boxer, S.G.,Herschlag, D.
Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site
Proc.Natl.Acad.Sci.USA, 110:E2552-E2561, 2013
PubMed: 23798390 (PDB entries with the same primary citation)
DOI: 10.1073/pnas.1302191110
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.222903.4%8.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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