SHV-1 beta-lactamase complex with compound 1

Summary for 3MXR

Related3MKE 3MKF 3MXS
DescriptorBeta-lactamase SHV-1, ({[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-4-(4-hydroxyphenyl)butanoyl]amino}methyl)boronic acid, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ... (4 entities in total)
Functional Keywordsbeta-lactamase, boronic acid transition state inhibitor, drug design, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceKlebsiella pneumoniae
Total number of polymer chains1
Total molecular weight30344.44
Ke, W.,van den Akker, F. (deposition date: 2010-05-07, release date: 2010-11-24, Last modification date: 2017-11-08)
Primary citation
Ke, W.,Sampson, J.M.,Ori, C.,Prati, F.,Drawz, S.M.,Bethel, C.R.,Bonomo, R.A.,van den Akker, F.
Novel Insights into the Mode of Inhibition of Class A SHV-1 {beta}-Lactamases Revealed by Boronic Acid Transition State Inhibitors.
Antimicrob.Agents Chemother., 55:174-183, 2011
PubMed: 21041505 (PDB entries with the same primary citation)
DOI: 10.1128/AAC.00930-10
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.202301.4%1.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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PDB entries from 2020-09-16