Four-Scale Description of Membrane Sculpting by BAR Domains

BAR domains are proteins that sense and sculpt curved membranes in cells, furnishing a relatively well-studied example of mechanisms employed in cellular morphogenesis. We report a computational study of membrane bending by BAR domains at four levels of resolution, described by 1), all-atom molecula...

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Bibliographic Details
Published in:Biophysical journal 2008-09, Vol.95 (6), p.2806-2821
Main Authors: Arkhipov, Anton, Yin, Ying, Schulten, Klaus
Format: Article
Language:English
Subjects:
Amino acids
Animals
Bending
Biophysics
Cell Membrane - drug effects
Cell Membrane - metabolism
Cells
Computer Simulation
Curvature
Drosophila melanogaster - metabolism
Elasticity
Lipids
Mathematical analysis
Mathematical models
Membranes
Models, Molecular
Nerve Tissue Proteins - chemistry
Nerve Tissue Proteins - metabolism
Nerve Tissue Proteins - pharmacology
Protein Structure, Tertiary
Proteins
Time Factors
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Summary:BAR domains are proteins that sense and sculpt curved membranes in cells, furnishing a relatively well-studied example of mechanisms employed in cellular morphogenesis. We report a computational study of membrane bending by BAR domains at four levels of resolution, described by 1), all-atom molecular dynamics; 2), residue-based coarse-graining (resolving single amino acids and lipid molecules); 3), shape-based coarse-graining (resolving overall protein and membrane shapes); and 4), a continuum elastic membrane model. Membrane sculpting performed by BAR domains collectively is observed in agreement with experiments. Different arrangements of BAR domains on the membrane surface are found to lead to distinct membrane curvatures and bending dynamics.
ISSN:0006-3495
1542-0086
DOI:10.1529/biophysj.108.132563