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TitleSelective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials.
Journal, issue, pagesChemmedchem, Vol. 17, Page e202100673-e202100673, Year 2022
Publish dateFeb 18, 2021 (structure data deposition date)
AuthorsWang, G. / Mohanty, B. / Williams, M.L. / Doak, B.C. / Dhouib, R. / Totsika, M. / McMahon, R.M. / Sharma, G. / Zheng, D. / Bentley, M.R. ...Wang, G. / Mohanty, B. / Williams, M.L. / Doak, B.C. / Dhouib, R. / Totsika, M. / McMahon, R.M. / Sharma, G. / Zheng, D. / Bentley, M.R. / Ka-Yan Chin, Y. / Horne, J. / Chalmers, D.K. / Heras, B. / Scanlon, M.J.
External linksChemmedchem / PubMed:34978144
MethodsX-ray diffraction
Resolution1.74 - 1.786 Å
Structure data

PDB-7lsm:
Crystal structure of E.coli DsbA in complex with bile salt taurocholate
Method: X-RAY DIFFRACTION / Resolution: 1.786 Å

PDB-7lui:
Crystal structure of Vibrio cholerae DsbA in complex with bile salt taurocholate
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

Chemicals

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-TCH:
TAUROCHOLIC ACID

ChemComp-HOH:
WATER

ChemComp-GOL:
GLYCEROL

Source
  • escherichia coli (strain k12) (bacteria)
  • vibrio cholerae serotype o1 (strain atcc 39315 / el tor inaba n16961) (bacteria)
KeywordsOXIDOREDUCTASE / Inhibitor / complex / antibacterial

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