| Project/Area Number |
17300097
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Bioinformatics/Life informatics
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| Research Institution | National Institute of Advanced Industrial Science and Technology |
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Principal Investigator |
NAGANO Nozomi National Institute of Advanced Industrial Science and Technology, Computational Biology Research Center, Senior Research Scientist (70357648)
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| Co-Investigator(Kenkyū-buntansha) |
TSUKAMOTO Koki Computational Biology Research Center, Research Staff (90399501)
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| Project Period (FY) |
2005 – 2007
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| Project Status |
Completed (Fiscal Year 2007)
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| Budget Amount *help |
¥7,860,000 (Direct Cost: ¥7,200,000、Indirect Cost: ¥660,000)
Fiscal Year 2007: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Fiscal Year 2006: ¥2,200,000 (Direct Cost: ¥2,200,000)
Fiscal Year 2005: ¥2,800,000 (Direct Cost: ¥2,800,000)
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| Keywords | oxidoreductases / protein structures / enzyme active sites / enzyme reactions / classification / 電子移動反応 / 触媒機構分類 / フラグメント分子軌道法 / 水素化物イオン移動反応 |
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| Research Abstract |
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.
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