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Covalent docking and molecular dynamics simulations reveal the specificity-shifting mutations Ala237Arg and Ala237Lys in TEM beta-lactamase

Fig 9

Aligned two-dimensional structural representations of the cephalosporins cefixime and ceftibuten, and of the monobactam carumonam.

The negatively charged R-groups that are stabilized by the Arg237 mutation are highlighted in fuchsia.

doi: https://doi.org/10.1371/journal.pcbi.1009944.g009