ArticleBiophysical journal2011
Membrane tension, lipid adaptation, conformational changes, and energetics in MscL gating.
Article in Biophysical journal, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- Biological characteristics of mechanosensitive channels MscS and MscL inJournal of bacteriology · 2024Article
- Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel.Computational and structural biotechnology journal · 2022Article
- Voltage vs. Ligand I: Structural basis of the intrinsic flexibility of S3 segment and its significance in ion channel activation.Channels (Austin, Tex.) · 2019Article
- Characterization of Lipid-Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular Simulation.Chemical reviews · 2019Review
- High-Throughput Simulations Reveal Membrane-Mediated Effects of Alcohols on MscL Gating.Journal of the American Chemical Society · 2017Article
- How Tolerant are Membrane Simulations with Mismatch in Area per Lipid between Leaflets?Journal of chemical theory and computation · 2015Article
- Solid-State NMR-Restrained Ensemble Dynamics of a Membrane Protein in Explicit Membranes.Biophysical journal · 2015Article
- E. coli outer membrane and interactions with OmpLA.Biophysical journal · 2014Article
- The power of coarse graining in biomolecular simulations.Wiley interdisciplinary reviews. Computational molecular science · 2014Article
- Structural investigation of MscL gating using experimental data and coarse grained MD simulations.PLoS computational biology · 2012Article
- The gating mechanism of the bacterial mechanosensitive channel MscL revealed by molecular dynamics simulations: from tension sensing to channel opening.Channels (Austin, Tex.)Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
This study aims to explore gating mechanisms of mechanosensitive channels in terms of membrane tension, membrane adaptation, protein conformation, and energetics. The large conductance mechanosensitive channel from Mycobacterium tuberculosis (Tb-MscL) is used as a model system; Tb-MscL acts as a safety valve by releasing small osmolytes through the channel opening under extreme hypoosmotic conditions. Based on the assumption that the channel gating involves tilting of the transmembrane (TM) helices, we have performed free energy simulations of Tb-MscL as a function of TM helix tilt angle in a dimyristoylphosphatidylcholine bilayer. Based on the change in system dimensions, TM helix tilting is shown to be essentially equivalent to applying an excess surface tension to the membrane, causing channel expansion, lipid adaptation, and membrane thinning. Such equivalence is further corroborated by the observation that the free energy cost of Tb-MscL channel expansion is comparable to the work done by the excess surface tension. Tb-MscL TM helix tilting results in an expanded water-conducting channel of an outer dimension similar to the proposed fully open MscL structure. The free energy decomposition indicates a possible expansion mechanism in which tilting and expanding of TM2 facilitates the iris-like motion of TM1, producing an expanded Tb-MscL.
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Registered trials
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