Ion channels formed by HIV-1 Vpu: a modelling and simulation study.
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.
Grice
A L
AL
Laboratory of Molecular Biophysics, University of Oxford, UK.
Kerr
I D
ID
Sansom
M S
MS
D000595:Amino Acid Sequence; D003198:Computer Simulation; D015497:HIV-1; D018257:Helix-Loop-Helix Motifs; D054298:Human Immunodeficiency Virus Proteins; D007425:Intracellular Membranes / Q000648:ultrastructure; D007473:Ion Channels / Q000737:chemistry*; D008954:Models, Biological; D008969:Molecular Sequence Data; D011487:Protein Conformation; D017433:Protein Structure, Secondary; D013816:Thermodynamics; D054334:Viral Regulatory and Accessory Proteins / Q000737:chemistry* / Q000648:ultrastructure; D014867:Water; D000086082:Viroporin Proteins
D054298:Human Immunodeficiency Virus Proteins; D007473:Ion Channels; D054334:Viral Regulatory and Accessory Proteins; D014867:Water; C514859:vpu protein, Human immunodeficiency virus 1; D000086082:Viroporin Proteins