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Molecular dynamics study of the LS3 voltage‐gated ion channel
Author(s) -
Zhong Qingfeng,
Moore Preston B,
Newns Dennis M,
Klein Michael L
Publication year - 1998
Publication title -
febs letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.593
H-Index - 257
eISSN - 1873-3468
pISSN - 0014-5793
DOI - 10.1016/s0014-5793(98)00304-4
Subject(s) - channel (broadcasting) , dynamics (music) , ion channel , chemistry , ion , biophysics , computer science , physics , telecommunications , biochemistry , biology , receptor , organic chemistry , acoustics
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 ‐CONH 2 , 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.