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Structure paper

TitleCrystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 56, Page 2713-2718, Year 2012
Publish dateMay 10, 2011 (structure data deposition date)
AuthorsKe, W. / Bethel, C.R. / Papp-Wallace, K.M. / Pagadala, S.R. / Nottingham, M. / Fernandez, D. / Buynak, J.D. / Bonomo, R.A. / van den Akker, F.
External linksAntimicrob. Agents Chemother. / PubMed:22330909
MethodsX-ray diffraction
Resolution1.26 - 1.62 Å
Structure data

PDB-3rxw:
KPC-2 carbapenemase in complex with PSR3-226
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

PDB-3rxx:
KPC-2 carbapenemase in complex with 3-NPBA
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

Chemicals

ChemComp-SR3:
(2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid

ChemComp-CIT:
CITRIC ACID

ChemComp-HOH:
WATER

ChemComp-NPB:
3-NITROPHENYLBORONIC ACID

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / inhibitor / beta-lactamase / HYDROLASE-HYDROLASE INHIBITOR complex

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