Fig. 3. Crystal structure of Mtb ICL1 with covalently bound itaconate. Ball-and-stick representation of the ICL1 active site covalently modified by itaconate, with the cysteine adduct shown in 2Fo–Fc omit density (generated by Phenix),39 contoured at 3.0σ. Atomic colours are as follows: oxygen, red; nitrogen, blue. Mg2+ ion is shown as a green sphere and water molecules as red spheres. Hydrogen bond interactions are shown as dashed lines. Arg228 is not shown for clarity.
