FIG 2.

Ceftobiprole binding to PBP3. (A) Unbiased omit |Fo|-|Fc| difference density contoured at 3σ, showing the presence of the covalently bound ceftobiprole in the active site. Ceftobiprole is shown in stick representation, with cyan carbon atoms. (B) Surface representation of the PBP3 active site, with ceftobiprole bound. (C) Side-by-side stereo figure showing the interactions between ceftobiprole and the active site residues. Hydrogen bonds involving ceftobiprole atoms are depicted as dashed lines. Ceftobiprole and bound water molecules are shown in stick and spherical representation, respectively. The chloride ion (Cl-1) and water molecules (W#1 to W#4) are shown.