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The role of O-antigen in the response to mechanical stress of the E. coli outer membrane: Insights from coarse-grained MD simulations

The role of O-antigen in the response to mechanical stress of the E. coli outer membrane: Insights from coarse-grained MD simulations
The role of O-antigen in the response to mechanical stress of the E. coli outer membrane: Insights from coarse-grained MD simulations
Lipopolysaccharide (LPS) is an important component of the outer membrane of Gram-negative bacteria, contributing to the structural integrity of the bacterial cell wall and conferring resistance to chemical attack. The rough variant of LPS contains a conserved lipid A domain and a complete core saccharide section, whereas the smooth variant additionally contains a terminal O-antigen chain. In the following, smooth LPS lipids are simulated in multicomponent membrane models using coarse-grained molecular dynamics. The simulations reveal that the lipid environment of smooth LPS lipids affects the orientation and clustering of their O-antigen chains. When the outer membrane leaflets contain smooth LPS lipids alone, the O-antigen chains are packed tightly, leading to strong cohesive intermolecular interactions. When the outer leaflets incorporate interstitial phospholipids and rough LPS variants, the O-antigen chains are tilted and less tightly bound. The different packing of terminal O-antigen chains affects lipid mobility and the mechanical strength of the Gram-negative membrane models. Gram-negative membranes with outer leaflets of smooth LPS alone can withstand surface tensions (150 mN m–1) that cause the membrane models with rough LPS lipids and comparable phospholipid bilayers to rupture much more readily.
1520-5207
3567-3575
Jefferies, Damien
8df97e21-8df6-4571-bfbe-3edc41e16967
Shearer, Jonathan
44810f0c-f875-465e-be3b-810155814bc5
Khalid, Syma
90fbd954-7248-4f47-9525-4d6af9636394
Jefferies, Damien
8df97e21-8df6-4571-bfbe-3edc41e16967
Shearer, Jonathan
44810f0c-f875-465e-be3b-810155814bc5
Khalid, Syma
90fbd954-7248-4f47-9525-4d6af9636394

Jefferies, Damien, Shearer, Jonathan and Khalid, Syma (2019) The role of O-antigen in the response to mechanical stress of the E. coli outer membrane: Insights from coarse-grained MD simulations. The Journal of Physical Chemistry B, 123 (17), 3567-3575. (doi:10.1021/acs.jpcb.8b12168).

Record type: Article

Abstract

Lipopolysaccharide (LPS) is an important component of the outer membrane of Gram-negative bacteria, contributing to the structural integrity of the bacterial cell wall and conferring resistance to chemical attack. The rough variant of LPS contains a conserved lipid A domain and a complete core saccharide section, whereas the smooth variant additionally contains a terminal O-antigen chain. In the following, smooth LPS lipids are simulated in multicomponent membrane models using coarse-grained molecular dynamics. The simulations reveal that the lipid environment of smooth LPS lipids affects the orientation and clustering of their O-antigen chains. When the outer membrane leaflets contain smooth LPS lipids alone, the O-antigen chains are packed tightly, leading to strong cohesive intermolecular interactions. When the outer leaflets incorporate interstitial phospholipids and rough LPS variants, the O-antigen chains are tilted and less tightly bound. The different packing of terminal O-antigen chains affects lipid mobility and the mechanical strength of the Gram-negative membrane models. Gram-negative membranes with outer leaflets of smooth LPS alone can withstand surface tensions (150 mN m–1) that cause the membrane models with rough LPS lipids and comparable phospholipid bilayers to rupture much more readily.

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Accepted/In Press date: 11 April 2019
e-pub ahead of print date: 11 April 2019
Published date: 2 May 2019

Identifiers

Local EPrints ID: 430973
URI: http://eprints.soton.ac.uk/id/eprint/430973
ISSN: 1520-5207
PURE UUID: 3ef8ee67-86db-4d97-a9e5-bf9ab248e6ae
ORCID for Syma Khalid: ORCID iD orcid.org/0000-0002-3694-5044

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Date deposited: 20 May 2019 16:30
Last modified: 07 Oct 2020 04:33

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Author: Damien Jefferies
Author: Jonathan Shearer
Author: Syma Khalid ORCID iD

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