Fig. 5
From: Efficient production of salvianic acid A from l-dihydroxyphenylalanine through a tri-enzyme cascade
Protein engineering to enhance the activity of LaPPR. a MD plots for the proportion of the catalytically active conformations (d1 ≤ 3.0 and d2 ≤ 3.0, dotted blue box) to the total conformation on the LaPPR–NADH–DHPPA and LaPPRMu2–NADH–DHPPA complex during 50 ns MD simulations. b The conversions were performed in 10 mL Tris–HCl buffer (50 mM, pH 7.0, containing 3 mM NAD+, 50 g L−1 DHPPA and 60 g L−1 sodium formate) with 20 g L−1 LaPPR and CbFDH wet whole-cell biocatalysts in 30 °C for 12 h. Representative MD snapshots of c LaPPR–NADH–DHPPA and d LaPPRMu2–NADH–DHPPA complexes. The initial structure of LaPPRMu2 was predicted from AlphaFold. e Structural alignment of LaPPR–NADH–DHPPA (green) and LaPPRMu2 NADH–DHPPA (cyan) complexes