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Literature summary for 2.3.1.169 extracted from

  • Amara, P.; Volbeda, A.; Fontecilla-Camps, J.C.; Field, M.J.
    A quantum chemical study of the reaction mechanism of acetyl-coenzyme a synthase (2005), J. Am. Chem. Soc., 127, 2776-2784.
    View publication on PubMed

Organism

Organism UniProt Comment Textmining
synthetic construct
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Reaction

Reaction Comment Organism Reaction ID
acetyl-CoA + a [Co(I) corrinoid Fe-S protein] = CO + CoA + a [methyl-Co(III) corrinoid Fe-S protein] investigation of putative intermediate states from the catalytic cycle by hybrid density functional theory. A mononuclear mechanism in which CO and CH3 bind the proximal nickel is favored over the binuclear mechanism in which CO and CH3 bind the proximal and distal nickel ions resp. The formation of a disulfide bond in the active site could provide the two electrons necessary for the reaction if methylation occurs simultaneously. The crystallographic closed form of the active site needs to open to accomodate ligands in the equatorial state synthetic construct