Fig. 4 in Site directed mutagenesis of Catharanthus roseus (+)-vincadifformine 19-hydroxylase (CYP71BY3) results in two distinct enzymatic functions

Fig. 4. GOLD's highest rated poses for (¡)-tabersonine and (þ)-vincadifformine into the V19H model generated from the 3ruk template with and without increased flexibility in the binding site residues. ()-tabersonine (B) and (+)-vincadifformine (A) best poses are shown in a rigid binding site (top) and a flexible binding site (bottom). The 19C is labelled in both ligands (arrows), and neither ligand is docked in the correct orientation for oxidation in a rigid binding site (top. However, in a flexible binding site, (+)-vincadifformine is in the correct orientation for 19C oxidation (bottom; B), whereas ()-tabersonine is not (bottom; A). (For interpretation of the references to colour in this figure legend, the reader is referred to the Web version of this article.)