2013年1月
Structural and spectral characterizations of C1C2 channelrhodopsin and its mutants by molecular simulations
CHEMICAL PHYSICS LETTERS
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- ,
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- 巻
- 556
- 号
- 開始ページ
- 266
- 終了ページ
- 271
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1016/j.cplett.2012.11.066
- 出版者・発行元
- ELSEVIER SCIENCE BV
Molecular dynamics (MD) simulations and excitation energy calculations of C1C2 chimera channelrhodopsin, a light-gated ion channel protein utilized as a biotechnological tool for optogenetics, based on a protein structure determined recently by X-ray crystallography were performed to investigate its structural and spectral properties. The MD simulations showed stability of hydrogen-bonds responsible for the channel gating observed in the crystallographic structural model. Analysis of electrostatic contribution of the surrounding protein groups to the absorption energy proposes several site-specific mutations that shift absorption maxima significantly, and provides a clear and controlled guide for engineering design of color variant proteins utilized in optogenetics. (C) 2012 Elsevier B.V. All rights reserved.
- リンク情報
- ID情報
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- DOI : 10.1016/j.cplett.2012.11.066
- ISSN : 0009-2614
- J-Global ID : 201302237881505589
- Web of Science ID : WOS:000313644100051