Figure 2. Overlay of N-ethyl-1,2-azaborine (red), B-ethyl-1,2-azaborine (yellow), and ethylbenzene (gray) modeled into the EbDH active site. The protein surface is given in grades of hydrophobicity (brown= hydrophobic, blue=hydrophilic). The view leads from the substrate channel towards the molybdenum cofactor. Note that force-field parameters had to be estimated for modeling the 1,2-azaborines, which may cause some deviations from the actual binding mode (see Supporting Information).