Title : Quantum chemical modeling of reaction mechanism for 2-oxoglutarate dependent enzymes: effect of substitution of iron by nickel and cobalt.

Pub. Date : 2006 Mar 30

PMID : 16553373






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1 Here, by using density functional theory calculations, we modeled the reaction route from the reaction components to the high-spin metal-oxide intermediate in the activation of oxygen molecule by 2OG-dependent enzymes for three metal ions Fe(II), Ni(II), and Co(II) in the active site. ammonium ferrous sulfate mitochondrially encoded cytochrome c oxidase II Homo sapiens