Figure 4. Substrate and product ligands docked into the S. coelicolor Hms model in silico.

Several active site residues are omitted for clarity. Column 1 shows HPP (white) and (S)-p-hydroxymandelate (black), column 2 gives PP (apricot) and (S)-mandelate (light pink), column 3 depicts p-methoxy-PP (teal) and (S)-p-methoxymandelate (purple) and column 4 displays 2-oxo-4-phenylbutanoic acid (pink) and (S)-4-phenyllactate (light blue). Indicated distances are summarized in Table S5.