To determine whether the expected products are able to fit inside the active site and occupy a reasonable binding mode an example product functionalized with 2-MOE was representatively covalently docked into the three variants using autodock and compared to WT ligand in the crystal structure (Figure ). For all three variants the 2-MOE functionalized products were able to occupy a binding mode similar to that of the wild type product (2-deoxy) and in all cases the larger functional group added at the 2-position was able to occupy the newly generated binding pockets. This further supports the hypothesis that an increase in the volume of the active site is responsible for the increase in substrate scope.