ArticleProceedings of the National Academy of Sciences of the United States of America2007
Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 45 papers.
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Who cites it
45 citing papers in PubMed.
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- Unlocking cellular traffic jams: olive oil-mediated rescue of CNG mutant channels.Frontiers in pharmacology · 2024Article
- Characterization of Lipid-Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular Simulation.Chemical reviews · 2019Review
- Designed construction of tween 60@2β-CD self-assembly vesicles as drug delivery carrier for cancer chemotherapy.Drug delivery · 2018Article
- Organizing membrane-curving proteins: the emerging dynamical picture.Current opinion in structural biology · 2018Review
- Replacing voltage sensor arginines with citrulline provides mechanistic insight into charge versus shape.The Journal of general physiology · 2018Article
- The Mycobacterium tuberculosis outer membrane channel protein CpnT confers susceptibility to toxic molecules.Antimicrobial agents and chemotherapy · 2015Article
- Implicit membrane treatment of buried charged groups: application to peptide translocation across lipid bilayers.Biochimica et biophysica acta · 2014Article
- Membrane shape modulates transmembrane protein distribution.Developmental cell · 2014Article
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Molecular dynamics simulations of voltage-gated cation channels: insights on voltage-sensor domain function and modulation.Frontiers in pharmacology · 2012Article
- Polyunsaturated Fatty acids modify the gating of kv channels.Frontiers in pharmacology · 2012Article
- Transfer of arginine into lipid bilayers is nonadditive.Biophysical journal · 2011Article
- Fluorescence spectroscopy and molecular dynamics simulations in studies on the mechanism of membrane destabilization by antimicrobial peptides.Cellular and molecular life sciences : CMLS · 2011Review
- Side-chain hydrophobicity scale derived from transmembrane protein folding into lipid bilayers.Proceedings of the National Academy of Sciences of the United States of America · 2011Article
- Interaction of diverse voltage sensor homologs with lipid bilayers revealed by self-assembly simulations.Biophysical journal · 2011Article
- Membrane insertion of a voltage sensor helix.Biophysical journal · 2011Article
- Cell membrane tethers generate mechanical force in response to electrical stimulation.Biophysical journal · 2010Article
- Structural characterization of two pore-forming peptides: consequences of introducing a C-terminal tryptophan.Proteins · 2010Article
- Coarse grained molecular dynamics simulations of transmembrane protein-lipid systems.International journal of molecular sciences · 2010Review
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2 authors.
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Abstract
Coarse-grained molecular dynamics simulations are used to explore the interaction with a phospholipid bilayer of the voltage sensor (VS) domain and the S4 helix from the archaebacterial voltage-gated potassium (Kv) channel KvAP. Multiple 2-mus self-assembly simulations reveal that the isolated S4 helix may adopt either interfacial or transmembrane (TM) locations with approximately equal probability. In the TM state, the insertion of the voltage-sensing region of S4 is facilitated via local bilayer deformation that, combined with side chain "snorkeling," enables its Arg side chains to interact with lipid headgroups and water. Multiple 0.2-mus self-assembly simulations of the VS domain are also performed, along with simulations of MscL and KcsA, to permit comparison with more "canonical" integral membrane protein structures. All three stably adopt a TM orientation within a bilayer. For MscL and KcsA, there is no significant bilayer deformation. In contrast, for the VS, there is considerable local deformation, which is again primarily due to the lipid-exposed S4. It is shown that for both the VS and isolated S4 helix, the positively charged side chains of S4 are accommodated within the membrane through a combination of stabilizing interactions with lipid glycerol and headgroup regions, water, and anionic side chains. Our results support the possibility that bilayer deformation around key gating charge residues in Kv channels may result in "focusing" of the electrostatic field, and indicate that, when considering competing models of voltage-sensing, it is essential to consider the dynamics and structure of not only the protein but also of the local lipid environment.
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