Figure 2 components



Figure 2. Reaction scheme for the four main steps of enzymatic reduction of benzyl cyanide (BnCN) to phenylethylamine (PEA) by QueF studied by DFT. Hydrides transferred from NADPH are shown in green and protons from the solvent are shown in red. Figure components drawn in ChemDraw 21.0.
Date made available31 Aug 2022
PublisherUniversity of Manchester Figshare


  • nitrile reductase
  • DFT
  • density functional theory
  • catalytic cycle

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