Fig. 7: Docking analysis and mutation verification of CYP71Ds active sites in catalyzing miltirone.

a Docking result for miltirone (pink) in the CYP71D375 model, with side-chains for the targeted residues shown (green). b Docking result for miltirone, with side-chains of the targeted residues shown (as indicated), in the models for CYP71D373 (yellow), CYP71D411(blue) and CYP71D464 (purple). c Alignment of the regions around the five proposed distinguishing active site residues. d Table indicating positive (green) and negative (blue) impact of CYP71D375 mutations on enzymatic reaction with miltirone.