Resistance to the "last resort" antibiotic colistin: a single-zinc mechanism for phosphointermediate formation in MCR enzymes.

Emily Lythell Reynier Suardíaz Philip HinchliffeChonnikan HanpaiboolSurawit VisitsatthawongA Sofia F OliveiraEric J M Lang Panida SurawatanawongVannajan Sanghiran LeeThanyada Rungrotmongkol Natalie Fey James Spencer Adrian J Mulholland

Published in: Chemical communications (Cambridge, England) (2021)

MCR (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.

Keyphrases

molecular dynamics
escherichia coli
density functional theory
klebsiella pneumoniae
multidrug resistant
acinetobacter baumannii
gram negative
drug resistant
pseudomonas aeruginosa
cystic fibrosis
transcription factor
solar cells
monte carlo