Figure 3.

The active sites of CgTHI6. (A) Stereo-diagram showing active site of the N-terminal domain of the enzyme. The product ThMP, pyrophosphate and the active site residues are shown in ball-and-stick representation. (B) Stereo-diagram showing the carboxy-thiazole binding in the active site of the N-terminal domain of the enzyme. The substrates, carboxy-Thz-P, CF₃HMP-PP, pyrophosphate and the active site residues are shown in ball-and-stick representation. (C) Stereo-diagram showing active site of the C-terminal domain of the enzyme. The substrate Thz, AMP-PCP and the active site residues are shown in ball-and-stick representation. In all panels, carbon atoms are shown in cyan for ligand and green for protein, nitrogen in blue, oxygen in red, sulfur in yellow, phosphorus in orange, and Mg²⁺ is marked by a magenta sphere.