Mechanism of color tuning in retinal protein: SAC-CI and QM/MM study

被引：57

作者：

Fujimoto, K

Hasegawa, JY

Hayashi, S

Kato, S

Nakatsuji, H ^{[1
]}

机构：

[1] Kyoto Univ, Grad Sch Engn, Dept Synth Chem & Biol Chem, Nishikyo Ku, Kyoto 6158510, Japan

[2] Kyoto Univ, Fukui Inst Fundamental Chem, Sakyo Ku, Kyoto 6068130, Japan

[3] Japan Sci & Technol Agcy, PRESTO, Kawaguchi, Saitama, Japan

[4] Kyoto Univ, Grad Sch Sci, Dept Chem, Kyoto 6068520, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 414卷 / 1-3期

基金：

日本科学技术振兴机构;

关键词：

D O I：

10.1016/j.cplett.2005.04.119

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

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页码：239 / 242

页数：4

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