6G9S

Structural basis for the inhibition of E. coli PBP2

Summary for 6G9S

Related6G9P 6G9F
DescriptorPeptidoglycan D,D-transpeptidase MrdA, (3~{R},6~{S})-6-(aminomethyl)-4-(1,3-oxazol-5-yl)-3-(sulfooxyamino)-3,6-dihydro-2~{H}-pyridine-1-carboxylic acid (3 entities in total)
Functional Keywordspenicillin binding protein, hydrolase-antibiotic complex, hydrolase/antibiotic
Biological sourceEscherichia coli
Total number of polymer chains1
Total molecular weight65409.83
Authors
Ruff, M.,Levy, N. (deposition date: 2018-04-11, release date: 2019-05-22)
Primary citation
Levy, N.,Bruneau, J.M.,Le Rouzic, E.,Bonnard, D.,Le Strat, F.,Caravano, A.,Chevreuil, F.,Barbion, J.,Chasset, S.,Ledoussal, B.,Moreau, F.,Ruff, M.
Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design.
J.Med.Chem., 62:4742-4754, 2019
PubMed: 30995398 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.9b00338
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.001 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2605 0.4% 1.6% 1.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution