Fig. 3
From: Alcohol acyltransferases for the biosynthesis of esters
The substrate binding site of FvAAT. The coordinates of benzyl alcohol and acetyl-CoA were manually generated and energetically optimized using the MM2 force field with Chem3D Ultra 8.0. AutoDock (version 3.00) was used for the docking of benzyl alcohol and acetyl-CoA into the homology model of FvAAT by assigning H157 or D161as a grid center. Among the 256 docking poses generated by docking simulations, the one with the minimum docking energy value was selected. Hydrogen bonds are shown with green dotted lines