Anabaena sensory rhodopsin is a light-driven unidirectional rotor

被引:64
作者
Strambi, Angela [1 ,2 ]
Durbeej, Bo [1 ]
Ferre, Nicolas [3 ]
Olivucci, Massimo [1 ,2 ]
机构
[1] Univ Siena, Dipartimento Chim, I-53100 Siena, Italy
[2] Bowling Green State Univ, Dept Chem, Bowling Green, OH 43403 USA
[3] Univ Aix Marseille, Fac Sci & Tech St Jerome, Lab Chim Provence, Equipe Chim Theor, F-13397 Marseille 20, France
关键词
molecular motors; molecular modeling; photoreceptors; stereochemistry; chirality; PERTURBATION-THEORY; MOLECULAR MACHINES; ENERGY-STORAGE; STATE; CHROMOPHORE; NMR;
D O I
10.1073/pnas.1015085107
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
The implementation of multiconfigurational quantum chemistry methods into a quantum-mechanics/molecular-mechanics protocol has allowed the construction of a realistic computer model for the sensory rhodopsin of the cyanobacterium Anabaena PCC 7120. The model, which reproduces the absorption spectra of both the all-trans and 13-cis forms of the protein and their associated K and L intermediates, is employed to investigate the light-driven steps of the photochromic cycle exhibited by the protein. It is found that the photoisomerizations of the all-trans and 13-cis retinal chromophores occur through unidirectional, counterclockwise 180 degrees rotations of the =C14-C15= moiety with respect to the Lys210-linked end of the chromophore axis. Thus, the sequential interconversions of the all-trans and 13-cis forms during a single photochromic cycle yield a complete (360 degrees) unidirectional rotation of the =C14-C15= moiety. This finding implies that Anabaena sensory rhodopsin is a biological realization of a light-driven molecular rotor.
引用
收藏
页码:21322 / 21326
页数:5
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