Molecular simulation study on the rotation mechanism of V-ATPase
| Project/Area Number |
25291036
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Partial Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Biophysics
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| Research Institution | Yokohama City University |
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Principal Investigator |
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| Co-Investigator(Renkei-kenkyūsha) |
MURATA Takeshi 千葉大学, 理学研究科, 教授 (80415322)
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| Project Period (FY) |
2013-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥18,070,000 (Direct Cost: ¥13,900,000、Indirect Cost: ¥4,170,000)
Fiscal Year 2015: ¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000)
Fiscal Year 2014: ¥6,110,000 (Direct Cost: ¥4,700,000、Indirect Cost: ¥1,410,000)
Fiscal Year 2013: ¥6,760,000 (Direct Cost: ¥5,200,000、Indirect Cost: ¥1,560,000)
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| Keywords | V型ATPase / 分子動力学 / マルチスケールシミュレーション / 分子モーター / 分子シミュレーション / V1-ATPase / 回転機構 |
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| Outline of Final Research Achievements |
The rotation mechanism of molecular motor V-ATPase, which transports ions utilizing ATP-hydrolysis energies, was studied using molecular dynamics (MD) simulations. Multiscale MD simulations employing both an all-atom model involving hydrogen atoms and a coarse-grained model approximating amino acids as particles successfully reproduced the rotation of a central stalk in V-ATPase. From analyses of the trajectories, the rotation mechanism of V-ATPase was elucidated structurally.
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Report
(4 results)
Research Products
(20 results)
