Theoretical study on mechanism of proton transfer in photosynthetic proteins based on protein structures
| Project/Area Number |
26800224
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Biological physics/Chemical physics/Soft matter physics
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| Research Institution | The University of Tokyo |
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Principal Investigator |
Saito Keisuke 東京大学, 先端科学技術研究センター, 講師 (20514516)
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| Project Period (FY) |
2014-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2017: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2016: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2015: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2014: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
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| Keywords | 光合成 / プロトン移動 / 水分解 / 量子化学 / 分子動力学 / 水素結合 / 酸解離定数 / 蛋白質 / 酸素発生 / 蛋白質構造 / 理論化学 / 光化学系II / NMR化学シフト / 量子化学計算 / 酸解離定数pKa / 水分解反応 / 理論計算 / 水分子 |
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| Outline of Final Research Achievements |
In photosynthesis of higher plants and algae, the photosystem II (PSII) protein catalyzes a water-splitting reaction where two water molecules are split into one oxygen molecule and four protons by using light energy. We clarified the reaction mechanism of the water-splitting reaction by using quantum chemical calculations. The reaction is composed of four steps. In the first step, one proton is transferred through a water chain near the active site (the Mn4CaO5 cluster) of PSII. In the third step, other proton is transferred via the asparagine side chain (D1-Asp61) located at the vicinity of the Mn4CaO5 cluster. The remaining protons are released when turning over from the fourth step to the first step.
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Report
(5 results)
Research Products
(30 results)
