Cis-trans photolsomerization of the chromophore in the green fluorescent protein variant E2GFP:: A molecular dynamics study

被引：15

作者：

Nifosì, R ^{[1
]}

Tozzini, V ^{[1
]}

机构：

[1] Scuola Normale Super Pisa, CNR, INFM, NEST, I-56126 Pisa, Italy

来源：

CHEMICAL PHYSICS | 2006年 / 323卷 / 2-3期

关键词：

green fluorescent proteins; molecular dynamics simulations; photochromism; ON/OFF switching of fluorescence; cis-trans photoisomerization;

D O I：

10.1016/j.chemphys.2005.09.032

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：

By force-field molecular dynamics simulations we investigate the dynamics of cis-trans photoisomerization of the chromophore in the GFP mutant E(2)GFP (F64L/S65T/T203Y), and the rearrangements that allow the protein structure to accommodate the trans form of the chromophore. We find that in this new configuration the chromophore is less well coordinated with the Surrounding protein matrix. From this configuration the simulated trans-cis photoisomerization of the chromophore and the associated non-radiative decay are faster than in the cis-trans case. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：358 / 368

页数：11

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