期刊
BIOPHYSICAL JOURNAL
卷 85, 期 3, 页码 1512-1524出版社
CELL PRESS
DOI: 10.1016/S0006-3495(03)74584-6
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- NIGMS NIH HHS [P01 GM062532, GM62532] Funding Source: Medline
Previous experimental work has shown that the functional properties of the mechanosensitive channel of large conductance ( MscL) are affected by variations in lipid composition. Here, we utilize molecular dynamics simulations of Mycobacterium tuberculosis MscL to investigate such lipid composition effects on a molecular level. In particular, two sets of simulations were performed. In the first, trajectories using lipids with different headgroups ( phosphatidylcholine and phosphatidylethanolamine) were compared. Protein-lipid interactions were clearly altered by the headgroup changes, leading to conformational differences in the C-terminal region of M. tuberculosis MscL. In the second set of simulations, lipid tails were gradually shortened, thinning the membrane over a molecular dynamics trajectory. These simulations showed evidence of hydrophobic matching between MscL and the lipid membrane, as previously proposed. For all simulations, protein-lipid interaction energies in the second transmembrane region were correlated to mutagenic data, emphasizing the importance of lipid interactions for proper MscL function.
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