2013 Fiscal Year Final Research Report
Statistical Mechanics Theory of Ion Channel
| Project/Area Number |
22245002
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| Research Category |
Grant-in-Aid for Scientific Research (A)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Physical chemistry
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| Research Institution | Ritsumeikan University (2012-2013)
Institute for Molecular Science (2010-2011) |
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Principal Investigator |
HIRATA Fumio 立命館大学, 生命科学部, 教授 (90218785)
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| Co-Investigator(Kenkyū-buntansha) |
YOSIDA Norio 九州大学, 理学(系)研究科(院), 准教授 (10390650)
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| Project Period (FY) |
2010-04-01 – 2014-03-31
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| Keywords | イオンチャネル / RISM理論 / 3D-RISM理論 / 一般化ランジェヴァン理論 / カリウムチャネル / イオン透過機構 / 蛋白質の構造揺らぎ / 分散・共分散行列 |
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| Research Abstract |
The purpose of the study is to construct a new theory to describe the conduction mechanism and the ion selectivity of the ion channels in molecular detail. Main results of the study are as follows. (1) Analyses based on 3D-RISM for the distribution of water and ions (Li+, Na+, K+) in the selective filter of the potassium channel (KcsA) have revealed that all the ions are bound in the filter region, that the binding modes are quite different from each other, and that the ion selectivity is originated from the difference in the binding modes. (2) We have derived new equations to describe the structural fluctuation of channel protein, which play crucial role in the gating of a channel, combining the 3D-RISM theory with the generalized Langevin theory.
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