Hydrogen-Bonding Changes Cause Differences in Imipenem Breakdown Activity in OXA-48 Variants
for OXA-517 is linked to lower binding affinity caused by the repositioning of bound imipenem. Our work identified the molecular basis for differences in imipenem hydrolytic activity between OXA-48 variants, offering detailed insights into how active site interactions alter the dynamics and reaction efficiencies related to antibiotic resistance.
Authors
- Marc W. van der Kamp (ORCID: https://orcid.org/0000-0002-8060-3359)
- JAMES M. SPENCER (ORCID: https://orcid.org/0000-0002-4602-0571)
- Adrian John Mulholland (ORCID: https://orcid.org/0000-0003-1015-4567)
- Daojiong Wang
Institutions
- University of Bristol (GB)
- Cellular Research (United States) (US)
Publication Details
- Journal
- Journal of Chemical Information and Modeling
- Published
- 2026-04-22
- DOI
- https://doi.org/10.1021/acs.jcim.6c00223
- Primary Topic
- Heat transfer and supercritical fluids
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Medical Research Council
- Biotechnology and Biological Sciences Research Council
- H2020 European Research Council