FIG. 5.
Difference electron density map (Fcomplex − Fwt) at contoured 2σ (orange) corresponding to the area of the complex structure where the pyridine-2,4-dicarboxylate inhibitor was modeled. (Fcomplex and Fwt are the structure factor amplitudes of the CphA crystal soaked in solution containing 2,4-PDCA and of the uncomplexed crystals, respectively.) The final refined coordinates of the inhibitor molecule, zinc ion, and D120, C221, H263, and V67 side chains have been superimposed. The distance between V67 (CG2) and 2,4-PDCA (C-41) is indicated in angstroms.