Structural basis for the inhibition of E. coli PBP2

Summary for 6G9F

DescriptorPeptidoglycan D,D-transpeptidase MrdA, (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide (3 entities in total)
Functional Keywordspenicillin binding protein, hydrolase-antibiotic complex, hydrolase/antibiotic
Biological sourceEscherichia coli O157:H7
Total number of polymer chains1
Total molecular weight63076.48
Ruff, M.,Levy, N. (deposition date: 2018-04-10, 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

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2488 0.2% 2.9% 3.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution