ArticlePLoS computational biology2012
Structural investigation of MscL gating using experimental data and coarse grained MD simulations.
Article in PLoS computational biology, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.
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Who cites it
21 citing papers in PubMed.
- Mechanosensitive channel MscL gating transitions coupling with constriction point shift.Protein science : a publication of the Protein Society · 2024Article
- Tight hydrophobic core and flexible helices yield MscL with a high tension gating threshold and a membrane area mechanical strain buffer.Frontiers in chemistry · 2023Article
- Computational studies of Piezo1 yield insights into key lipid-protein interactions, channel activation, and agonist binding.Biophysical reviews · 2022Review
- Towards design of drugs and delivery systems with the Martini coarse-grained model.QRB discovery · 2022Review
- Initiating Coarse-Grained MD Simulations for Membrane-Bound Proteins.Methods in molecular biology (Clifton, N.J.) · 2022Article
- Elucidating the molecular basis of spontaneous activation in an engineered mechanosensitive channel.Computational and structural biotechnology journal · 2022Article
- Molecular Paradigms for Biological Mechanosensing.The journal of physical chemistry. B · 2021Article
- Mechanical Activation of MscL Revealed by a Locally Distributed Tension Molecular Dynamics Approach.Biophysical journal · 2021Article
- Emerging Diversity in Lipid-Protein Interactions.Chemical reviews · 2019Review
- Elucidating a role for the cytoplasmic domain in the Mycobacterium tuberculosis mechanosensitive channel of large conductance.Scientific reports · 2018Article
- Permeating disciplines: Overcoming barriers between molecular simulations and classical structure-function approaches in biological ion transport.Biochimica et biophysica acta. Biomembranes · 2018Review
- Nanomechanical properties of MscL α helices: A steered molecular dynamics study.Channels (Austin, Tex.) · 2017Article
- Dihydrostreptomycin Directly Binds to, Modulates, and Passes through the MscL Channel Pore.PLoS biology · 2016Article
- Multifunctional, Micropipette-based Method for Incorporation And Stimulation of Bacterial Mechanosensitive Ion Channels in Droplet Interface Bilayers.Journal of visualized experiments : JoVE · 2015Article
- Functional similarities between heterogeneously and homogenously expressed MscL constructs.European biophysics journal : EBJ · 2015Article
- Molecular dynamics study on protein-water interplay in the mechanogating of the bacterial mechanosensitive channel MscL.European biophysics journal : EBJ · 2015Article
- Activation of bacterial channel MscL in mechanically stimulated droplet interface bilayers.Scientific reports · 2015Article
- Breaking the hydrophobicity of the MscL pore: insights into a charge-induced gating mechanism.PloS one · 2015Article
- Single molecule FRET reveals pore size and opening mechanism of a mechano-sensitive ion channel.eLife · 2014Article
- Dynamics of protein-protein interactions at the MscL periplasmic-lipid interface.Biophysical journal · 2014Article
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The mechanosensitive channel of large conductance (MscL) has become a model system in which to understand mechanosensation, a process involved in osmoregulation and many other physiological functions. While a high resolution closed state structure is available, details of the open structure and the gating mechanism remain unknown. In this study we combine coarse grained simulations with restraints from EPR and FRET experiments to study the structural changes involved in gating with much greater level of conformational sampling than has previously been possible. We generated a set of plausible open pore structures that agree well with existing open pore structures and gating models. Most interestingly, we found that membrane thinning induces a kink in the upper part of TM1 that causes an outward motion of the periplasmic loop away from the pore centre. This previously unobserved structural change might present a new mechanism of tension sensing and might be related to a functional role in osmoregulation.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.