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TitleExploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 67, Page e0035023-e0035023, Year 2023
Publish dateFeb 6, 2023 (structure data deposition date)
AuthorsAlsenani, T.A. / Viviani, S.L. / Papp-Wallace, K.M. / Bonomo, R.A. / van den Akker, F.
External linksAntimicrob. Agents Chemother. / PubMed:37750722
MethodsX-ray diffraction
Resolution1.26 - 1.28 Å
Structure data

PDB-8g2r:
CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH AVIBACTAM
Method: X-RAY DIFFRACTION / Resolution: 1.28 Å

PDB-8g2t:
CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH RELEBACTAM (IMINE HYDROLYSIS INTERMEDIATE)
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

Chemicals

ChemComp-NXL:
(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide / antibiotic, inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-YOZ:
(2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide

ChemComp-PO4:
PHOSPHATE ION

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE/Antibiotic / Beta-lactamase / inhibitor / antibiotic resistance / HYDROLASE / HYDROLASE-Antibiotic complex / HYDROLASE/Inhibitor / HYDROLASE-Inhibitor complex

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