Simulation of MscL Gating in a Bilayer under Stress

Colombo, G., Marrink, S. J. and Mark, A. E. (2003) Simulation of MscL Gating in a Bilayer under Stress. Biophysical Journal, 84 4: 2331-2337. doi:10.1016/S0006-3495(03)75038-3

Author Colombo, G.
Marrink, S. J.
Mark, A. E.
Title Simulation of MscL Gating in a Bilayer under Stress
Journal name Biophysical Journal   Check publisher's open access policy
ISSN 0006-3495
Publication date 2003-04-01
Year available 2003
Sub-type Article (original research)
DOI 10.1016/S0006-3495(03)75038-3
Open Access Status DOI
Volume 84
Issue 4
Start page 2331
End page 2337
Total pages 7
Place of publication Bethesda, MA
Publisher Biophysical Society
Language eng
Abstract The initial stages of the gating of the mechanoselective channel of large conductance from Mycobacterium tuberculosis have been studied in atomic detail using molecular dynamics simulation techniques. A truncated form of the protein complex embedded in a palmitoyloleoylphosphatidylcholine lipid bilayer and surrounded by explicit water was simulated under different pressure conditions to mimic the effects of tension and compression within the membrane on the protein. As a direct result of lateral tension being applied to the membrane, an increase in the tilt of a subset of the transmembrane helices was observed. This in turn led to the enlargement of the pore and the disruption of the hydrophobic gate consisting of residues Ile-14 and Val-21. The simulations suggest that opening occurs in a sequential staged process. Such a mechanism could explain the partial opening or staged conductance observed in patch-clamp experiments using related large conductance mechanosensitive channel complexes.
Keyword Biophysics
Molecular-dynamics Simulations
Conductance Mechanosensitive Channel
Membrane Tension
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collections: Excellence in Research Australia (ERA) - Collection
School of Chemistry and Molecular Biosciences
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Citation counts: TR Web of Science Citation Count  Cited 53 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 55 times in Scopus Article | Citations
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Created: Thu, 20 Sep 2007, 02:32:21 EST