FIGURE 5.

Docking of 1,4-BNC-CoA in active site of KshA. 1,4-BNC-CoA is shown as a ball and stick representation. KshA (PDB ID 2ZYL (15)) is shown as a green, semitransparent surface. KshA amino acids within 4 Å of the CoA group of 1,4-BNC-CoA are shown as sticks and labeled. Carbon atoms of amino acid residues and the substrate are colored green and yellow, respectively. Oxygen, phosphorus, and nitrogen atoms are shown in red, orange, and blue, respectively. The catalytic iron is shown as a rust-colored sphere. Residues mentioned in the text are labeled.