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Characterising membrane association and periplasmic transfer of bacterial lipoproteins through molecular dynamics simulations
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Rao, Shanlin, Bates, George T., Matthews, Callum R., Newport, Thomas D., Vickery, Owen N. and Stansfeld, Phillip J. (2020) Characterising membrane association and periplasmic transfer of bacterial lipoproteins through molecular dynamics simulations. Structure, 28 (4). pp. 475-487. doi:10.1016/j.str.2020.01.012 ISSN 0969-2126.
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Official URL: https://doi.org/10.1016/j.str.2020.01.012
Abstract
Escherichia coli lipoprotein precursors at the inner membrane undergo three maturation stages before transport by the Lol system to the outer membrane. Here, we develop a pipeline to simulate the membrane association of bacterial lipoproteins in their four maturation states. This has enabled us to model and simulate 81 of the predicted 114 E. coli lipoproteins and reveal their interactions with the host lipid membrane. As part of this set we characterize the membrane contacts of LolB, the lipoprotein involved in periplasmic translocation. We also consider the means and bioenergetics for lipoprotein localization. Our calculations uncover a preference for LolB over LolA and therefore indicate how a lipoprotein may be favorably transferred from the inner to outer membrane. Finally, we reveal that LolC has a role in membrane destabilization, thereby promoting lipoprotein transfer to LolA.
Item Type: | Journal Article | |||||||||||||||||||||
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Subjects: | Q Science > QP Physiology Q Science > QR Microbiology |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Life Sciences (2010- ) |
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Library of Congress Subject Headings (LCSH): | Bacterial cell walls, Lipoproteins, Escherichia coli, Bacterial proteins, Bacterial proteins -- Simulation methods, Molecular dynamics | |||||||||||||||||||||
Journal or Publication Title: | Structure | |||||||||||||||||||||
Publisher: | Cell Press | |||||||||||||||||||||
ISSN: | 0969-2126 | |||||||||||||||||||||
Official Date: | 7 April 2020 | |||||||||||||||||||||
Dates: |
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Volume: | 28 | |||||||||||||||||||||
Number: | 4 | |||||||||||||||||||||
Page Range: | pp. 475-487 | |||||||||||||||||||||
DOI: | 10.1016/j.str.2020.01.012 | |||||||||||||||||||||
Status: | Peer Reviewed | |||||||||||||||||||||
Publication Status: | Published | |||||||||||||||||||||
Access rights to Published version: | Restricted or Subscription Access | |||||||||||||||||||||
Date of first compliant deposit: | 30 January 2020 | |||||||||||||||||||||
Date of first compliant Open Access: | 20 April 2020 | |||||||||||||||||||||
RIOXX Funder/Project Grant: |
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