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TitleActive-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 61, Year 2017
Publish dateMar 23, 2016 (structure data deposition date)
AuthorsVandavasi, V.G. / Langan, P.S. / Weiss, K.L. / Parks, J.M. / Cooper, J.B. / Ginell, S.L. / Coates, L.
External linksAntimicrob. Agents Chemother. / PubMed:27795378
MethodsX-ray diffraction / neutron diffraction
Resolution1.1 - 2.1 Å
Structure data

PDB-5g18:
Direct Observation of Active-site Protonation States in a Class A beta lactamase with a monobactam substrate
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-5ksc:
E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate
Method: NEUTRON DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-AZR:
2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid / antibiotic*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-DOD:
DEUTERATED WATER

Source
  • escherichia coli (E. coli)
KeywordsHYDROLASE / BETA LACTAMASE / TOHO / NEUTRON / Beta-lactamase / aztreonam / acyl-intermediate

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