Sandala, Gregory; Smith, David M; Radom, Leo
Ab initio molecular orbital calculations have been used to study the mechanism of suicide inactivation of ethanolamine ammonia-lyase induced by three different substrate analogues. Analysis of the normal catalytic mechanism with 2-aminoethanol (ethanolamine) as substrate predicts that both the hydrogen-abstraction and hydrogen-reabstraction steps involving the B 12-cofactor are likely to be exothermic. On the other hand, the proposed inactivation mechanism for the first substrate analogue,...[Show more]
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