FIG 5.

ETX2514 in the active site of OXA-24/40. (A) Shown is an unbiased omit |Fo| − |Fc| electron density with ETX2514 removed from refinement and map calculations of OXA-24/40. The inhibitor is shown in blue carbon atom stick representation, whereas the protein is depicted in gray carbon atom stick representation. Electron density is contoured at the 3σ level. The K84 side chain was observed in two conformations; one carbamylated and one noncarbamylated (0.6 and 0.4 occupancy conformations labeled a and b, respectively). A chloride ion with 0.4 occupancy was also refined in the active site (green sphere labeled Cl). (B) Hydrogen bonds (dashed lines) between ETX2514 and OXA-24/40. Water molecules are depicted as red spheres, and the partially occupied chloride ion is depicted as a green sphere.