酶中组氨酸残基与水分子间的氢迁移及氧化对其影响

THE HYDROGEN TRANSFER BETWEEN WATER AND THE RESIDUES OF HISTIDINE IN ENZYME AND AFFECTED BY OXIDATION

采用量子化学的ＣＮＤＯ／２法，探讨了酶活性部位的组氨酸残基和水之间氢键的形成和氢迁移问题，对组氨酸残基被氧化前后的氢健构成和催化机理进行了比较，为研究酶催化过程提供了有益的信息。

In this paper,we approach the formation of hydrogen bond and the problem of hydrogen transfer between water and the enzyme active position of histidine residues by CNDO/2 method of quantum chemistry, compare the constitution of hydrogen bond and catalysis mechanism,oxidated the residues of histidine from beginning to end;supply studing of enzyme catalysis with useful information.