Titratable residues that drive RND efflux: Insights from molecular simulations

Autor: Robert Clark, Kahlan E. Newman, Syma Khalid
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: QRB Discovery, Vol 5 (2024)
Druh dokumentu: article
ISSN: 2633-2892
DOI: 10.1017/qrd.2024.6
Popis: The resistance–nodulation–division efflux machinery confers antimicrobial resistance to Gram-negative bacteria by actively pumping antibiotics out of the cell. The protein complex is powered by proton motive force; however, the proton transfer mechanism itself and indeed even its stoichiometry is still unclear. Here we review computational studies from the last decade that focus on elucidating the number of protons transferred per conformational cycle of the pump. Given the difficulties in studying proton movement using even state-of-the-art structural biology methods, the contributions from computational studies have been invaluable from a mechanistic perspective.
Databáze: Directory of Open Access Journals