STRUCTURE AND DYNAMICS OF BACTERIORHODOPSIN - COMPARISON OF SIMULATION AND EXPERIMENT

被引：26

作者：

FERRAND, M

ZACCAI, G

NINA, M

SMITH, JC

ETCHEBEST, C

ROUX, B

机构：

[1] CE SACLAY,DEPT BIOL CELLULAIRE & MOLEC,SERV BIOPHYS PROTEINES & MEMBRANES,F-91191 GIF SUR YVETTE,FRANCE

[2] INST MAX VON LAUE PAUL LANGEVIN,BP 156X,F-38042 GRENOBLE,FRANCE

[3] INST BIOL STRUCT,BIOPHYS MOLEC LAB,F-38027 GRENOBLE 1,FRANCE

[4] INST BIOL PHYS CHIM,F-75005 PARIS,FRANCE

[5] CE SACLAY,INGN & ETUD PROTEINS LAB,F-91191 GIF SUR YVETTE,FRANCE

[6] UNIV MONTREAL,DEPT PHYS,MONTREAL H3C 3J7,QUEBEC,CANADA

来源：

FEBS LETTERS | 1993年 / 327卷 / 03期

关键词：

BACTERIORHODOPSIN; MOLECULAR DYNAMICS; NEUTRON SCATTERING;

D O I：

10.1016/0014-5793(93)80999-B

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Global features of the structure and dynamics of bacteriorhodopsin are investigated using molecular modelling, dynamical simulations and neutron scattering experiments. The simulations are performed on a model system consisting of one protein molecule plus intrinsic water molecules. The simulation-derived structure is compared with neutron diffraction data on the location of water and with the available electron microscopy structure of highest resolution. The simulated water geometry is in good accord with the neutron data. The protein structure deviates slightly but significantly from the experiment. The low-frequency vibrational frequency distribution of a low-hydration purple membrane is derived from inelastic neutron scattering data and compared with the corresponding simulation-derived quantity.

引用

页码：256 / 260

页数：5

共 17 条

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