5A91

15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography

Summary for 5A91

Related5A90 5A92 5A93
Descriptor, SULFATE ION (3 entities in total)
Functional Keywordshydrolase, beta lactamase, neutron crystallography
Biological sourceESCHERICHIA COLI
Total number of polymer chains1
Total molecular weight28598.07
Authors
Vandavasi, V.G.,Weiss, K.L.,Cooper, J.B.,Erskine, P.T.,Tomanicek, S.J.,Ostermann, A.,Schrader, T.E.,Ginell, S.L.,Coates, L. (deposition date: 2015-07-17, release date: 2015-12-16, Last modification date: 2019-10-09)
Primary citation
Vandavasi, V.G.,Weiss, K.L.,Cooper, J.B.,Erskine, P.T.,Tomanicek, S.J.,Ostermann, A.,Schrader, T.E.,Ginell, S.L.,Coates, L.
Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59:474-, 2016
PubMed: 26630115 (PDB entries with the same primary citation)
DOI: 10.1021/ACS.JMEDCHEM.5B01215
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.2 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.1516 0.4% 1.4% 3.5%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
171916
PDB entries from 2020-12-02