Molecular dynamics study of the LS3 voltage-gated ion channel.
Molecular dynamics study of the LS3 voltage-gated ion channel.
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LS3 电压门控离子通道的分子动力学研究。
DOI：
10.1016/s0014-5793(98)00304-4
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发表时间：
1998
期刊：
影响因子：
3.5
通讯作者：
Klein,ML
中科院分区：
文献类型：
--
作者：
Zhong,Q;Moore,PB;Newns,DM;Klein,ML
在模拟膜环境中对LS 3合成离子通道模型进行了分子动力学计算。在没有外部静电场的情况下，由序列为Ac-（LSSLLSL）3-CONH 2的6个α-螺旋组成的LS 3通道表现出大的结构波动。然而，在场的存在下，束采用具有水的内部孔隙的良好限定的盘绕线圈结构。所观察到的结构变化所引起的外加场是一致的离子通道的门控机制。
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 α-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 water. The observed structural changes induced by the applied field are consistent with the proposed gating mechanism of the ion channel.