Ontology highlight
ABSTRACT:
SUBMITTER: Almasi JN
PROVIDER: S-EPMC6264447 | biostudies-literature | 2011 Oct
REPOSITORIES: biostudies-literature
Almasi Joel N JN Bushnell Eric A C EA Gauld James W JW
Molecules (Basel, Switzerland) 20111012 10
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 mechanics/molecular mechanics (QM/MM) ONIOM-based approaches. In particular, the overall catalytic pathway has been elucidated and the effects of electron correlation and the anisotropic polar protein en ...[more]