Trebeck, Katherine; Golding, Bernard; Radom, Leo
Ab initio molecular orbital theory is used to investigate several possible mechanisms involving free radical intermediates for the coenzyme- B12-dependent rearrangement catalyzed by methylmalonyl-CoA mutase. Our calculations suggest that an intermolecular pathway in which transient fragmentation of the substrate-derived radical is followed by recombination of the fragments ('fragmentation-recombination') is unlikely, but not out of the question. An alternative intramolecular pathway...[Show more]
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