Quantum mechanical studies on the crystallographic model of bathorhodopsin

被引：49

作者：

Schreiber, Marko

Sugihara, Minoru

Okada, Tetsuji

Buss, Volker ^{[1
]}

机构：

[1] Univ Duisburg Essen, Theoret Chem FB6, D-47048 Duisburg, Germany

[2] Natl Inst Adv Ind Sci & Technol, Biol Informat Res Ctr, Tokyo 1350064, Japan

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2006年 / 45卷 / 26期

关键词：

density functional calculations; protein structures; retinal; rhodopsin; UV/Vis spectroscopy;

D O I：

10.1002/anie.200600585

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Seeing double: Quantum-mechanical refinement of the X-ray crystal structure of bathorhodopsin (see picture; before optimization green; optimized structure red) highlights the twisted geometry of the chromophore. Calculated Raman, UV/Vis, and CD spectral properties of this first intermediate of the rhodopsin visual cycle agree with those observed experimentally. (Figure Presented) © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.

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收藏

页码：4274 / 4277

页数：4

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