Figure 8.
Model of the C-30 product regioselectivity. (A) In silico mutagenesis of CYP72A63L149V/L398G. These models show CYP72A63 and CYP72A63L149V/L398G focusing on amino acid residues #149 and #398. The red dashed line indicates the effects of amino acid substitution on active site volume. All amino acid residues are shown. (B) Illustration of potential binding modes of β-amyrin. Carbon atom positions for C-21, C-29, and C-30 in the three-dimensional structure of β-amyrin are indicated. Potential rotation of β-amyrin is indicated by the red dashed line. The distance of C-30 from the heme iron is indicated by gray dashed line.