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Kobzev G.I. MECHANISMS OF MOLECULAR OXYGEN ACTIVATION IN FERMENTATIVE OXIDATION-REDUCTION REACTIONS.On the basis of modeling of fermentative reactions by ad initio and semi-empirical methods of quantum chemistry, the analyses is carried out of electronic and spin characteristics of a penultimate phase of catalytic cycle of substrata oxidation by oxygen with formation of hydrogen peroxide. It is shown, that optimum structure of the active centre of enzyme- is a glucosoxidase, it is defined by exchange-correlation potential, and activation of molecular oxygen can be provided not only by carrying of electron on oxygen, but also intermolecular migration of spin density from oxygen on enzyme and coenzyme.
About this article
Author: Kobzev G.I.
Year: 2005
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Editor-in-chief |
Sergey Aleksandrovich
MIROSHNIKOV |
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