Ion channels formed by HIV‐1 Vpu: a modelling and simulation study

FEBS Letters

Sansom, M.S.P¹  Grice, A.L¹  Kerr, I.D¹ 

[1]Laboratory of Molecular Biophysics, The Rex Richards Building, University of Oxford, South Parks Road, Oxford OX1 3QU, UK

关键词: HIV-1;    Vpu;    Ion channel;    Molecular dynamics;    Conductance;   

DOI  :  10.1016/S0014-5793(97)00198-1

学科分类：生物化学/生物物理

来源: John Wiley & Sons Ltd.

【 摘 要 】

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 water 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.

【 授权许可】

Unknown