TCB Publications - Abstract

TCB Publications - Abstract

Hang Yu and Klaus Schulten. Membrane sculpting by F-BAR domains studied by molecular dynamics simulations. PLoS Computational Biology, 9:e1002892, 2013. (PMC: 3561051)

YU2013 Interplay between cellular membranes and their peripheral proteins drives many processes in eukaryotic cells. Proteins of the Bin/Amphiphysin/Rvs (BAR) domain family, in particular, play a role in cellular morphogenesis, for example curving planar membranes into tubular membranes. However, it is still unclear how F-BAR domain proteins act on membranes. Electron microscopy revealed that, in vitro, F-BAR proteins form regular lattices on cylindrically deformed membrane surfaces. Using all-atom and coarse-grained (CG) molecular dynamics simulations, we show that such lattices, indeed, induce tubes of observed radii. A 250ns all-atom simulation reveals that F-BAR domain curves membranes via the so-called ``scaffolding'' mechanism. Plasticity of the F-BAR domain permits conformational change in response to membrane interaction, via partial unwinding of the domain's 3-helix bundle structure. A CG simulation covering more than 350$\mu$s provides a dynamic picture of membrane tubulation by lattices of F-BAR domains. A series of CG simulations identified the optimal lattice type for membrane sculpting, which matches closely the lattices seen through cryo-electron microscopy.

Download Full Text

The manuscripts available on our site are provided for your personal use only and may not be retransmitted or redistributed without written permissions from the paper's publisher and author. You may not upload any of this site's material to any public server, on-line service, network, or bulletin board without prior written permission from the publisher and author. You may not make copies for any commercial purpose. Reproduction or storage of materials retrieved from this web site is subject to the U.S. Copyright Act of 1976, Title 17 U.S.C.

Download full text: PDF ( 6.2MB), Supplemental Material ( 1.0MB) - Supplementary PDF, Supplemental Material ( 7.6MB) - Supplementary movie 1, Supplemental Material ( 4.8MB) - Supplementary movie 2, Supplemental Material ( 7.0MB) - Supplementary movie 3, Journal