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Systematic analyses and development of classification for catalytic mechanisms of oxidoreductase enzymes based on structural information

基于结构信息的氧化还原酶催化机制的系统分析和分类发展

基本信息

批准号：
17300097
负责人：
NAGANO Nozomi
金额：
$ 5.03万
依托单位：
National Institute of Advanced Industrial Science and Technology
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (B)
财政年份：
2005
资助国家：
日本
起止时间：
2005 至 2007
项目状态：
已结题

项目摘要

It is much more difficult to analyze oxidoreduction reactions than other reactions. Non-oxidoreduction reactions such as hydrolysis, transfer, and isomerization can be inferred from changes in the covalent-bonds of ligand molecules at enzyme-active sites. However, electron transmission and redox potential cannot be predicted merely using. structural information because analyses must incorporate spectroscopic data and theoretical calculations, such as those of quantum chemistry. It is therefore extremely difficult to analyze, compare, and classify oxidoreduction reactions merely using structural information. In this study, we analyzed and classified oxidoreductase reactions by categorizing them as follows : 1. electron transfer ; 2. hydride transfer, which involves proton transfer as well as electron transfer using mainly the nicotinamide group of NAD-related compounds and the flavin group of FAD and FMN ; 3. oxygenation, which involves dioxygen ; and 4. hydrogen activation, which produces hydrogen gas, or which consumes hydrogen gas to produce protons. We specifically address electron transfer reactions and electron transfer proteins. Results show some correlations between the cofactors and reaction types. Moreover, some oxidoreductases catalyze complex reactions, which are classifiable into several reactions, some of which are non-oxidoreduction reactions.

分析氧化还原反应比分析其他反应要困难得多。水解、转移和异构化等非氧化还原反应可以从酶活性位点配体分子共价键的变化推断出来。然而，电子传输和氧化还原电位不能仅用。结构信息，因为分析必须结合光谱数据和理论计算，如量子化学。因此，仅用结构信息来分析、比较和分类氧化还原反应是极其困难的。在本研究中，我们对氧化还原酶反应进行了分析和分类，分为以下几类：电子转移；2. 氢化物转移，包括质子转移和电子转移，主要利用ad相关化合物的烟酰胺基团和FAD和FMN的黄素基团；3. 氧合，涉及到双氧；和4。氢活化，产生氢气，或者消耗氢气产生质子。我们专门讨论电子转移反应和电子转移蛋白。结果表明，辅因子与反应类型之间存在一定的相关性。此外，一些氧化还原酶催化复杂的反应，这些反应可分为几种反应，其中一些是非氧化还原反应。