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Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots

A. Dashti, M.S. Shekhar, D. Ben Hail, G. Mashayekhi, P. Schwander, A. des Georges, J. Frank, A. Singharoy, A. Ourmazd
doi: https://doi.org/10.1101/291922
A. Dashti
1Dept. of Physics, University of Wisconsin Milwaukee, 3135 N. Maryland Ave, Milwaukee, WI 53211
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M.S. Shekhar
2Beckman Institute for Advanced Science and Technology, and University of Illinois at Urbana-Champaign, Urbana, IL 61801, United States
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D. Ben Hail
3Structural Biology Initiative, CUNY Advanced Science Research Center, City University of New York, New York, NY 10031
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G. Mashayekhi
1Dept. of Physics, University of Wisconsin Milwaukee, 3135 N. Maryland Ave, Milwaukee, WI 53211
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P. Schwander
1Dept. of Physics, University of Wisconsin Milwaukee, 3135 N. Maryland Ave, Milwaukee, WI 53211
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A. des Georges
2Beckman Institute for Advanced Science and Technology, and University of Illinois at Urbana-Champaign, Urbana, IL 61801, United States
3Structural Biology Initiative, CUNY Advanced Science Research Center, City University of New York, New York, NY 10031
4Dept. of Chemistry & Biochemistry, City College of New York, New York, NY 10031
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  • For correspondence: Amedee.desGeorges@asrc.cuny.edu jf2192@cumc.columbia.edu Ourmazd@uwm.edu
J. Frank
6Dept. of Biochemistry and Molecular Biophysics, Columbia University, 2-221 Black Building, 650 West 168th Street, New York, NY 10032
7Dept. of Biological Sciences, Columbia University, 600 Fairchild Center, New York, NY 10027
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  • For correspondence: Amedee.desGeorges@asrc.cuny.edu jf2192@cumc.columbia.edu Ourmazd@uwm.edu
A. Singharoy
8School of Molecular Sciences, Center for Applied Structural Discovery, Arizona State University, Tempe, AZ 85287, United States
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  • For correspondence: Amedee.desGeorges@asrc.cuny.edu jf2192@cumc.columbia.edu Ourmazd@uwm.edu
A. Ourmazd
1Dept. of Physics, University of Wisconsin Milwaukee, 3135 N. Maryland Ave, Milwaukee, WI 53211
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  • For correspondence: Amedee.desGeorges@asrc.cuny.edu jf2192@cumc.columbia.edu Ourmazd@uwm.edu
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Abstract

We present a new approach to determining the conformational changes associated with biological function, and demonstrate its capabilities in the context of experimental single-particle cryo-EM snapshots of ryanodine receptor (RyR1), a Ca2+-channel involved in skeletal muscle excitation/contraction coupling. These results include the detailed conformational motions associated with functional paths including transitions between energy landscapes. The functional motions differ substantially from those inferred from discrete structures, shedding new light on the gating mechanism in RyR1. The differences include the conformationally active structural domains, the nature, sequence, and extent of conformational motions involved in function, and the way allosteric signals are transduced within and between domains. The approach is general, and applicable to a wide range of systems and processes.

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Posted January 14, 2019.
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Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots
A. Dashti, M.S. Shekhar, D. Ben Hail, G. Mashayekhi, P. Schwander, A. des Georges, J. Frank, A. Singharoy, A. Ourmazd
bioRxiv 291922; doi: https://doi.org/10.1101/291922
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Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots
A. Dashti, M.S. Shekhar, D. Ben Hail, G. Mashayekhi, P. Schwander, A. des Georges, J. Frank, A. Singharoy, A. Ourmazd
bioRxiv 291922; doi: https://doi.org/10.1101/291922

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