Covalent docking and molecular dynamics simulations reveal the specificity-shifting mutations Ala237Arg and Ala237Lys in TEM beta-lactamase
Fig 11
Visual inspection of the intermolecular interactions with Lys237 for ligands covalently bound to TEM-Ala237Lys.
(a) Ampicillin, (b) Cefixime, (c) Ceftibuten, and (d) Carumonam. Yellow dotted lines indicate hydrogen interactions, orange dotted lines indicate poor contacts/clashes, purple dotted lines indicate salt bridges, and green dotted lines indicate cation-pi interactions.