Figure 4. Energy profiles calculated by DFT for the four stages of QueF reduction of its natural substrate preQ0 compared to the target nitrile BnCN. The rate-limiting step is the final hydride transfer. Data for preQ0 from Hirao et al.
Chemical drawings done in ChemDraw 21.0.
Funding
Manchester-Bangor DTP2
Biotechnology and Biological Sciences Research Council