A QM/MM–Based Computational Investigation on the Catalytic Mechanism of Saccharopine Reductase

Other literature type, Article English OPEN
James W. Gauld; Eric A.C. Bushnell; Joel N. Almasi;
  • Publisher: MDPI AG
  • Journal: Molecules (issn: 1420-3049)
  • Related identifiers: doi: 10.3390/molecules16108569
  • Subject: theoretical | Organic chemistry | QD241-441 | Schiff base | saccharopine | carbinolamine | QM/MM | α-aminoadipate-δ-semialdehyde | imine formation | saccharopine reductase | computational

Saccharopine reductase from Magnaporthe grisea, an NADPH-containing enzyme in the α-aminoadipate pathway, catalyses the formation of saccharopine, a precursor to L-lysine, from the substrates glutamate and α-aminoadipate-δ-semialdehyde. Its catalytic mechanism has been ... View more
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