Molecular design of photoreceptor proteins for the use of multichannel optgenetics using all-atom quantum chemical calculations
| Project/Area Number |
25540132
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Multi-year Fund |
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| Research Field |
Life / Health / Medical informatics
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| Research Institution | Tokyo Institute of Technology |
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Principal Investigator |
Sakurai Minoru 東京工業大学, バイオ研究基盤支援総合センター, 教授 (50162342)
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| Co-Investigator(Renkei-kenkyūsha) |
Kandori Hideki 名古屋工業大学, 工学研究科, 教授 (70202033)
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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 |
¥3,770,000 (Direct Cost: ¥2,900,000、Indirect Cost: ¥870,000)
Fiscal Year 2015: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2014: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2013: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
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| Keywords | チャネルロドプシン / プロテオロドプシン / 量子化学計算 / 吸収波長制御 / LOVドメイン / BLUFドメイン / 光応答 / ダイナミクス / オプトジェネティクス / MDシミュレーション / 光受容体 / ロドプシン / オプシンシフト |
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| Outline of Final Research Achievements |
We analyzed the spectral tuning mechanism in channelrhodopsin and proteorhodopisin using all-atom quantum chemical calculations. On the basis of these results, we successfully identified amino acid residues that exert significant influences on the absorption maxima of these proteins, and furthermore designed mutants whose absorption maxima are largely shifted with respect to those of the wild type proteins. In addition, we intensively performed MD simulations to elucidate the photoresponse mechanism in LOV and BLUF domains, which are recently used as photoreceptors in many optgenetics experiments, from a viewpoint of molecular dynamics.
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Report
(4 results)
Research Products
(20 results)
