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    Letter

    Bacillus subtilis Lipid Extract, A Branched-Chain Fatty Acid Model Membrane
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    † ‡ †Shull Wollan Center: A Joint Institute for Neutron Sciences, ‡Biology and Soft Matter Division, §Center for Molecular Biophysics, and ∥Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States of America
    ⊥ ⊥Department of Physics & Astronomy, #Department of Biochemistry & Cellular and Molecular Biology, and ∇Department of Microbiology, University of Tennessee, Knoxville, Tennessee 37996, United States of America
    ○ Jülich Center for Neutron Science, Forschungszentrum Juelich GmbH, Outstation at SNS, Oak Ridge, Tennessee 37831, United States
    ◆ Intel Corporation, Hillsboro, Oregon 97124, United States of America
    *E-mail: [email protected]. Address: Department of Chemical and Environmental Engineering, University of Cincinnati, Cincinnati, OH 45221 (J.D.N.).
    *E-mail:[email protected]. Address: Division of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, The Ohio State University, Columbus, OH 43210 (X.C.).
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    The Journal of Physical Chemistry Letters

    Cite this: J. Phys. Chem. Lett. 2017, 8, 17, 4214–4217
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    https://doi.org/10.1021/acs.jpclett.7b01877
    Published August 21, 2017
    Copyright © 2017 American Chemical Society
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    Abstract

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    Lipid extracts are an excellent choice of model biomembrane; however at present, there are no commercially available lipid extracts or computational models that mimic microbial membranes containing the branched-chain fatty acids found in many pathogenic and industrially relevant bacteria. We advance the extract of Bacillus subtilis as a standard model for these diverse systems, providing a detailed experimental description and equilibrated atomistic bilayer model included as Supporting Information to this Letter and at (http://cmb.ornl.gov/members/cheng). The development and validation of this model represents an advance that enables more realistic simulations and experiments on bacterial membranes and reconstituted bacterial membrane proteins.

    Copyright © 2017 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jpclett.7b01877.

    • Materials and Methods, four supporting figures showing the GC/MS analysis, melting temperature, structural decomposition of B. subtilis lipid extract, and a time course demonstrating convergence of the simulations at 37 °C; three supporting tables providing structural parameters, the fatty acid content, and the head group and water content, and extended discussion of the experimental data treatment (PDF)

    • File needed to employ the computational model of the B. subtilis lipid extract (PDB)

    • File needed to employ the computational model of the B. subtilis lipid extract (ZIP)

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    Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html.

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    Cite this: J. Phys. Chem. Lett. 2017, 8, 17, 4214–4217
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpclett.7b01877
    Published August 21, 2017
    Copyright © 2017 American Chemical Society
    Request reuse permissions

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