Fig. 5

Molecular docking of 2-OPBA with BbPheDH and derived mutants. Binding poses of 2-OPBA with wild-type BbPheDH (a, b) and the derived mutants M1–3 (c, d), M2–2 (e, f), and M3–2 (g, h). Structural homology models of the enzyme are shown in light blue cartoon or surfaces representations. Substrate 2-OPBA is shown as cyan sticks or balls. Initial residues V144, L306, and V309 are shown as yellow sticks. Mutagenized residues G144, V306, and G309 are shown as magenta sticks. Coenzyme NADH is shown as orange sticks