Ion channels formed by HIV-1 Vpu: A modelling and simulation study
Ion channels formed by HIV-1 Vpu: A modelling and simulation study
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DOI：
10.1016/s0014-5793(97)00198-1
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发表时间：
1997-04-01
期刊：
影响因子：
3.5
通讯作者：
Sansom, MSP
中科院分区：
文献类型：
--
作者：
Grice, AL;Kerr, ID;Sansom, MSP
VPU是由HIV-1编码的一种形成离子通道的寡聚体完整膜蛋白，其每个亚基都含有一个跨膜螺旋。用约束分子动力学方法建立了N=4、5或6个跨膜螺旋束形成的VPU通道模型，并用孔内物质分子进行了100ps模拟修正。孔道半径分布和电导预测表明，N=5模型对应于通道的主要通道电导水平。Na+或Cl-离子沿VPU N=5孔道的迁移势能分布与VPU通道的弱阳离子选择性一致。(C)1997年欧洲生化学会联合会。
Vpu is an oligomeric integral membrane protein encoded by HIV-1 which forms ion channels, each subunit of which contains a single transmembrane helix. Models of Vpu channels formed by bundles of N=4, 5 or 6 transmembrane helices have been developed by restrained molecular dynamics and refined by 100 ps simulations with mater molecules within the pore. Pore radius profiles and conductance predictions suggest that the N=5 model corresponds to the predominant channel conductance level of the channel. Potential energy profiles for translation of Na+ or Cl- ions along the Vpu N=5 pore are consistent with the weak cation selectivity of Vpu channels. (C) 1997 Federation of European Biochemical Societies.