Molecular dynamics study of the LS3 voltage-gated ion channel

被引：41

作者：

Zhong, Q

Moore, PB

Newns, DM

Klein, ML ^{[1
]}

机构：

[1] Univ Penn, Ctr Mol Modeling, Philadelphia, PA 19104 USA

[2] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA

[3] IBM Corp, Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA

来源：

FEBS LETTERS | 1998年 / 427卷 / 02期

基金：

美国国家卫生研究院;

关键词：

ion channel; self-assembly; helical bundle alpha-helix; electrostatic field; molecular dynamics;

D O I：

10.1016/S0014-5793(98)00304-4

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：

Molecular dynamics calculations have been carried out on a model of the LS3 synthetic ion channel in a membrane mimetic environment. In the absence of an external electrostatic field, the LS3 channel, which consists of a bundle of six alpha-helices with sequence Ac-(LSSLLSL)(3)-CONH2, exhibits large structural fluctuations. However, in the presence of the field, the bundle adopts a well defined coiled-coil structure with an inner pore of mater. The observed structural changes induced by the applied field are consistent with the proposed gating mechanism of the ion channel. (C) 1998 Federation of European Biochemical Societies.

引用

页码：267 / 270

页数：4

共 25 条

[21] 7-HELIX BUNDLES - MOLECULAR MODELING VIA RESTRAINED MOLECULAR-DYNAMICS [J].