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TitleNeutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction.
Journal, issue, pagesJ. Biol. Chem., Vol. 288, Page 4715-, Year 2013
Publish dateOct 4, 2012 (structure data deposition date)
AuthorsTomanicek, S.J. / Standaert, R.F. / Weiss, K.L. / Ostermann, A. / Schrader, T.E. / Ng, J.D. / Coates, L.
External linksJ. Biol. Chem. / PubMed:23255594
MethodsX-ray diffraction / neutron diffraction
Resolution1.207 - 2.002 Å
Structure data

PDB-4bd0:
X-ray structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB)
Method: X-RAY DIFFRACTION / Resolution: 1.207 Å

PDB-4bd1:
Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB)
Method: NEUTRON DIFFRACTION / Resolution: 2.002 Å

Chemicals

ChemComp-BZB:
BENZO[B]THIOPHENE-2-BORONIC ACID

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-DOD:
DEUTERATED WATER

Source
  • escherichia coli bl21 (bacteria)
KeywordsHYDROLASE / PERDEUTERATED NEUTRON STRUCTURE / EXTENDED-SPECTRUM BETA LACTAMASES / CTX- M-TYPE ESBLS

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