Figure 4

Indole docking in the maize BX2 model. Indole is colored in green. Heme is represented in licorice. VMD was used to create the pictures [88]. A. Overall fold and secondary structure contents of maize BX2. The model is represented as NewCartoons and colored as follows: α-helices in purple, 310-helices in dark blue, turns in light blue, β-strands in yellow and coils in white. The four red residues (Leu253, Ala341, Thr345 and Ile527) correspond to sites in contact with indole according to docking results (AutoDock4). B. Localization of the ten important sites (in dark blue) for maize CYP71C substrate specificity. The structures in red correspond to SRSs. Ser 156 and Cys 157 are inside SRSs and point towards the active site.