Modeling the syn-cycle in the light activated opening of the channelrhodopsin-2 ion channel

Author:

Xin Qi1,Cheng Jie1,Wang Hongwei2,Zhang Wenying1,Lu Hong1,Zhou Junpeng1,Lo Glenn V.3,Dou Yusheng3,Yuan Shuai1ORCID

Affiliation:

1. Chongqing Key Laboratory of Big Data for Bio Intelligence, Chongqing University of Posts and Telecommunications, Chongqing 40065, China

2. School of Chemistry and Molecular Biosciences, The University of Queensland, Brisbane St Lucia, QLD 4072, Australia

3. Department of Chemistry and Physical Sciences, Nicholls State University, P.O. Box 2022, Thibodaux, LA 70310, USA

Abstract

Modelling the syn-cycle is a series of operations on the ChR2 crystal structure (PDB ID: 6EID). By replacement and isomerization, we obtained P500* and P480 intermediates. A feasible explanation that no P390* was observed in experiment was inferred.

Funder

Natural Science Foundation of Chongqing

Chongqing Municipal Education Commission Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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