Description
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 available | 31 Aug 2022 |
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Publisher | University of Manchester Figshare |
Keywords
- nitrile reductase
- DFT
- density functional theory
- catalytic cycle