English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  A coarse grained model for a lipid membrane with physiological composition and leaflet asymmetry.

Sharma, S., Kim, B. N., Stansfeld, P. J., Sansom, M. S. P., & Lindau, M. (2015). A coarse grained model for a lipid membrane with physiological composition and leaflet asymmetry. PLOS One, 10(12): e0144814. doi:10.1371/journal.pone.0144814.

Item is

Basic

show hide
Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-4ECC-7 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002A-6EE9-8
Genre: Journal Article

Files

show Files
hide Files
:
2241317.pdf (Publisher version), 12MB
Name:
2241317.pdf
Description:
-
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
Copyright Date:
-
Copyright Info:
-

Locators

show

Creators

show
hide
 Creators:
Sharma, S.1, Author              
Kim, B. N., Author
Stansfeld, P. J., Author
Sansom, M. S. P., Author
Lindau, M.1, Author              
Affiliations:
1Research Group of Nanoscale Cell Biology, MPI for Biophysical Chemistry, Max Planck Society, ou_1832294              

Content

show
hide
Free keywords: -
 Abstract: The resemblance of lipid membrane models to physiological membranes determines how well molecular dynamics (MD) simulations imitate the dynamic behavior of cell membranes and membrane proteins. Physiological lipid membranes are composed of multiple types of phospholipids, and the leaflet compositions are generally asymmetric. Here we describe an approach for self-assembly of a Coarse-Grained (CG) membrane model with physiological composition and leaflet asymmetry using the MARTINI force field. An initial set-up of two boxes with different types of lipids according to the leaflet asymmetry of mammalian cell membranes stacked with 0.5 nm overlap, reliably resulted in the self-assembly of bilayer membranes with leaflet asymmetry resembling that of physiological mammalian cell membranes. Self-assembly in the presence of a fragment of the plasma membrane protein syntaxin 1A led to spontaneous specific positioning of phosphatidylionositol(4,5)bisphosphate at a positively charged stretch of syntaxin consistent with experimental data. An analogous approach choosing an initial set-up with two concentric shells filled with different lipid types results in successful assembly of a spherical vesicle with asymmetric leaflet composition. Self-assembly of the vesicle in the presence of the synaptic vesicle protein synaptobrevin 2 revealed the correct position of the synaptobrevin transmembrane domain. This is the first CG MD method to form a membrane with physiological lipid composition as well as leaflet asymmetry by self-assembly and will enable unbiased studies of the incorporation and dynamics of membrane proteins in more realistic CG membrane models.

Details

show
hide
Language(s): eng - English
 Dates: 2015-12-14
 Publication Status: Published online
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1371/journal.pone.0144814
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: PLOS One
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: 21 Volume / Issue: 10 (12) Sequence Number: e0144814 Start / End Page: - Identifier: -