Mechanism of color tuning in retinal protein: SAC-CI and QM/MM study
Mechanism of color tuning in retinal protein: SAC-CI and QM/MM study
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DOI：
10.1016/j.cplett.2005.04.119
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发表时间：
2005-10-03
影响因子：
2.8
通讯作者：
Nakatsuji, H
中科院分区：
文献类型：
--
作者：
Fujimoto, K;Hasegawa, JY;Nakatsuji, H
用SAC-CI和QM/MM方法计算了BR、K和KL状态下的牛视紫红质(Rh)、细菌视紫红质(BR)和感觉性视紫红质II(SRII)五种视网膜蛋白的吸收峰。计算结果与实验的激发能很好地吻合，并为Rh和sRII从BR到Rh的大蓝移提供了一个新的机制：Rh的几何扭曲和sRII的蛋白质静电效应。这些结果表明，本方法对于研究视网膜蛋白质的激发光谱和颜色调谐机制是有用的。(C)2005 Elsevier B.V.保留所有权利。
The SAC-CI and QM/MM methods were applied to calculations of the absorption peaks of the five retinal proteins, bovine rhodopsin (Rh), bacteriorhodopsin (bR) in BR, K, and KL states, and sensory rhodopsin II (sRII). The results nicely agree with the experimental excitation energies and provided an insight into the mechanism of the large blue shifts in Rh and sRII from BR: geometric distortion in Rh and protein electrostatic effect in sRII. These results indicate that the present approach is useful for studying the excitation spectra and the mechanism of the color tuning in the retinal proteins. (c) 2005 Elsevier B.V. All rights reserved.