Lythell, EmilySuardíaz Delrío, ReynierHinchliffe, PhilipHanpaibool, ChonnikanVisitsatthawong, SurawitOliveira, SofiaLang, EricSurawatanawong, PanidaLee, Vannajan SanghiranRungrotmongkol, ThanyadaFey, NatalieSpencer, JamesMulholland, Adrian2024-01-112024-01-112020Lythell, Emily, et al. «Resistance to the “Last Resort” Antibiotic Colistin: A Single-Zinc Mechanism for Phosphointermediate Formation in MCR Enzymes». Chemical Communications, vol. 56, n.o 50, 2020, pp. 6874-77. https://doi.org/10.1039/D0CC02520H.1359-734510.1039/d0cc02520hhttps://hdl.handle.net/20.500.14352/92414MCR (mobile colistin resistance) enzymes catalyse phosphoethanolamine (PEA) addition to bacterial lipid A, threatening the “last-resort” antibiotic colistin. Molecular dynamics and density functional theory simulations indicate that monozinc MCR supports PEA transfer to the Thr285 acceptor, positioning MCR as a mono- rather than multinuclear member of the alkaline phosphatase superfamily.engAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/journal article1364-548Xhttps://doi.org/10.1039/d0cc02520hrestricted access546Alkaline PhosphataseAnti-Bacterial AgentsBacterial ProteinsColistinDrug ResistanceBacterialEthanolaminesLipid AMolecular Dynamics SimulationZincQuímica23 Química