The complex structure of E. coli DsbA bound to a peptide at the DsbA/DsbB interface

Summary for 4TKY

DescriptorThiol:disulfide interchange protein DsbA, PRO-PHE-ALA-THR-CYS-ASP-SER, ACETYL GROUP, ... (5 entities in total)
Functional Keywordsdsba, dsbb, dithiol oxidase, complex, dsba/dsbb, peptide inhibitor, thioredoxin-related protein, oxidoreductase-peptide inhibitor complex, oxidoreductase/peptide inhibitor
Biological sourceEscherichia coli
Cellular locationPeriplasm P0AEG4
Total number of polymer chains8
Total molecular weight88496.04
Premkumar, L.,Martin, J.L. (deposition date: 2014-05-28, release date: 2015-01-14, Last modification date: 2017-11-22)
Primary citation
Duprez, W.,Premkumar, L.,Halili, M.A.,Lindahl, F.,Reid, R.C.,Fairlie, D.P.,Martin, J.L.
Peptide Inhibitors of the Escherichia coli DsbA Oxidative Machinery Essential for Bacterial Virulence.
J.Med.Chem., 58:577-587, 2015
PubMed: 25470204 (PDB entries with the same primary citation)
DOI: 10.1021/jm500955s
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.237301.2%0.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution