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

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

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 investigated using quantum mec...

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Bibliographic Details
Main Authors: James W. Gauld, Eric A.C. Bushnell, Joel N. Almasi
Format: Article
Language:English
Published: MDPI AG 2011-10-01
Series:Molecules
Subjects:
Schiff base
saccharopine reductase
α-aminoadipate-δ-semialdehyde
saccharopine
imine formation
carbinolamine
QM/MM
theoretical
computational
Online Access:http://www.mdpi.com/1420-3049/16/10/8569/

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http://www.mdpi.com/1420-3049/16/10/8569/

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