De novo design of transmembrane β barrels
Abstract
Transmembrane β-barrel proteins (TMBs) are of great interest for single-molecule analytical technologies because they can spontaneously fold and insert into membranes and form stable pores, but the range of pore properties that can be achieved by repurposing natural TMBs is limited. We leverage the power of de novo computational design coupled with a “hypothesis, design, and test” approach to determine TMB design principles, notably, the importance of negative design to slow β-sheet assembly. We design new eight-stranded TMBs, with no homology to known TMBs, that insert and fold reversibly into synthetic lipid membranes and have nuclear magnetic resonance and x-ray crystal structures very similar to the computational models. These advances should enable the custom design of pores for a wide range of applications.
- Authors:
-
- Department of Biochemistry, University of Washington, Seattle, WA 98195, USA., Howard Hughes Medical Institute, University of Washington, Seattle, WA 98195, USA.
- Astbury Centre for Structural Molecular Biology, School of Molecular and Cellular Biology, Faculty of Biological Sciences, University of Leeds, Leeds LS2 9JT, USA.
- Department of Molecular Physiology and Biological Physics and Center for Membrane and Cell Physiology, University of Virginia, Charlottesville, VA 22903, USA.
- Department of Biochemistry, University of Washington, Seattle, WA 98195, USA., Institute for Protein Design, University of Washington, Seattle, WA 98195, USA.
- Department of Biochemistry, University of Washington, Seattle, WA 98195, USA.
- Department of Molecular Engineering and Sciences, University of Washington, Seattle, WA 98195, USA.
- Department of Chemistry and Biochemistry, Resource for Native Mass Spectrometry Guided Structural Biology, The Ohio State University, Columbus, OH 43210, USA.
- TC Jenkins Department of Biophysics Johns Hopkins University, Baltimore, MD 21218, USA.
- Department of Biochemistry, University of Washington, Seattle, WA 98195, USA., Howard Hughes Medical Institute, University of Washington, Seattle, WA 98195, USA., Institute for Protein Design, University of Washington, Seattle, WA 98195, USA.
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1766354
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Published Article
- Journal Name:
- Science
- Additional Journal Information:
- Journal Name: Science Journal Volume: 371 Journal Issue: 6531; Journal ID: ISSN 0036-8075
- Publisher:
- American Association for the Advancement of Science (AAAS)
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Vorobieva, Anastassia A., White, Paul, Liang, Binyong, Horne, Jim E., Bera, Asim K., Chow, Cameron M., Gerben, Stacey, Marx, Sinduja, Kang, Alex, Stiving, Alyssa Q., Harvey, Sophie R., Marx, Dagan C., Khan, G. Nasir, Fleming, Karen G., Wysocki, Vicki H., Brockwell, David J., Tamm, Lukas K., Radford, Sheena E., and Baker, David. De novo design of transmembrane β barrels. United States: N. p., 2021.
Web. doi:10.1126/science.abc8182.
Vorobieva, Anastassia A., White, Paul, Liang, Binyong, Horne, Jim E., Bera, Asim K., Chow, Cameron M., Gerben, Stacey, Marx, Sinduja, Kang, Alex, Stiving, Alyssa Q., Harvey, Sophie R., Marx, Dagan C., Khan, G. Nasir, Fleming, Karen G., Wysocki, Vicki H., Brockwell, David J., Tamm, Lukas K., Radford, Sheena E., & Baker, David. De novo design of transmembrane β barrels. United States. https://doi.org/10.1126/science.abc8182
Vorobieva, Anastassia A., White, Paul, Liang, Binyong, Horne, Jim E., Bera, Asim K., Chow, Cameron M., Gerben, Stacey, Marx, Sinduja, Kang, Alex, Stiving, Alyssa Q., Harvey, Sophie R., Marx, Dagan C., Khan, G. Nasir, Fleming, Karen G., Wysocki, Vicki H., Brockwell, David J., Tamm, Lukas K., Radford, Sheena E., and Baker, David. Thu .
"De novo design of transmembrane β barrels". United States. https://doi.org/10.1126/science.abc8182.
@article{osti_1766354,
title = {De novo design of transmembrane β barrels},
author = {Vorobieva, Anastassia A. and White, Paul and Liang, Binyong and Horne, Jim E. and Bera, Asim K. and Chow, Cameron M. and Gerben, Stacey and Marx, Sinduja and Kang, Alex and Stiving, Alyssa Q. and Harvey, Sophie R. and Marx, Dagan C. and Khan, G. Nasir and Fleming, Karen G. and Wysocki, Vicki H. and Brockwell, David J. and Tamm, Lukas K. and Radford, Sheena E. and Baker, David},
abstractNote = {Transmembrane β-barrel proteins (TMBs) are of great interest for single-molecule analytical technologies because they can spontaneously fold and insert into membranes and form stable pores, but the range of pore properties that can be achieved by repurposing natural TMBs is limited. We leverage the power of de novo computational design coupled with a “hypothesis, design, and test” approach to determine TMB design principles, notably, the importance of negative design to slow β-sheet assembly. We design new eight-stranded TMBs, with no homology to known TMBs, that insert and fold reversibly into synthetic lipid membranes and have nuclear magnetic resonance and x-ray crystal structures very similar to the computational models. These advances should enable the custom design of pores for a wide range of applications.},
doi = {10.1126/science.abc8182},
journal = {Science},
number = 6531,
volume = 371,
place = {United States},
year = {Thu Feb 18 00:00:00 EST 2021},
month = {Thu Feb 18 00:00:00 EST 2021}
}
https://doi.org/10.1126/science.abc8182
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