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Title: Dynamics of crowded vesicles: Local and global responses to membrane composition
Authors: Holdbrook D.A.
Huber R.G.
Piggot T.J.
Bond P.J. 
Khalid S.
Keywords: outer membrane protein F
lipid bilayer
membrane protein
bacterial membrane
controlled study
lipid composition
mathematical model
membrane vesicle
molecular dynamics
molecular size
protein aggregation
protein lipid interaction
protein targeting
cell membrane
cytoplasm vesicle
lipid bilayer
Cell Membrane
Cytoplasmic Vesicles
Lipid Bilayers
Membrane Proteins
Molecular Dynamics Simulation
Issue Date: 2016
Citation: Holdbrook D.A., Huber R.G., Piggot T.J., Bond P.J., Khalid S. (2016). Dynamics of crowded vesicles: Local and global responses to membrane composition. PLoS ONE 11 (6) : e0156963. ScholarBank@NUS Repository.
Rights: Attribution 4.0 International
Abstract: The bacterial cell envelope is composed of a mixture of different lipids and proteins, making it an inherently complex organelle. The interactions between integral membrane proteins and lipids are crucial for their respective spatial localization within bacterial cells. We have employed microsecond timescale coarse-grained molecular dynamics simulations of vesicles of varying sizes and with a range of protein and lipid compositions, and used novel approaches to measure both local and global system dynamics, the latter based on spherical harmonics analysis. Our results suggest that both hydrophobic mismatch, enhanced by embedded membrane proteins, and curvature based sorting, due to different modes of undulation, may drive assembly in vesicular systems. Interestingly, the modes of undulation of the vesicles were found to be altered by the specific protein and lipid composition of the vesicle. Strikingly, lipid dynamics were shown to be coupled to proteins up to 6 nm from their surface, a substantially larger distance than has previously been observed, resulting in multi-layered annular rings enriched with particular types of phospholipid. Such large protein-lipid complexes may provide a mechanism for long-range communication. Given the complexity of bacterial membranes, our results suggest that subtle changes in lipid composition may have major implications for lipid and protein sorting under a curvature-based membrane-sorting model. © 2016 Holdbrook et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Source Title: PLoS ONE
ISSN: 19326203
DOI: 10.1371/journal.pone.0156963
Rights: Attribution 4.0 International
Appears in Collections:Staff Publications

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