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The Ca2+ permeation mechanism of the ryanodine receptor revealed by a multi-site ion model

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  • Aihua Zhang

    (Peking University)

  • Hua Yu

    (Peking University)

  • Chunhong Liu

    (Peking University)

  • Chen Song

    (Peking University
    Peking University)

Abstract

Ryanodine receptors (RyR) are ion channels responsible for the release of Ca2+ from the sarco/endoplasmic reticulum and play a crucial role in the precise control of Ca2+ concentration in the cytosol. The detailed permeation mechanism of Ca2+ through RyR is still elusive. By using molecular dynamics simulations with a specially designed Ca2+ model, we show that multiple Ca2+ ions accumulate in the upper selectivity filter of RyR1, but only one Ca2+ can occupy and translocate in the narrow pore at a time, assisted by electrostatic repulsion from the Ca2+ within the upper selectivity filter. The Ca2+ is nearly fully hydrated with the first solvation shell intact during the whole permeation process. These results suggest a remote knock-on permeation mechanism and one-at-a-time occupation pattern for the hydrated Ca2+ within the narrow pore, uncovering the basis underlying the high permeability and low selectivity of the RyR channels.

Suggested Citation

  • Aihua Zhang & Hua Yu & Chunhong Liu & Chen Song, 2020. "The Ca2+ permeation mechanism of the ryanodine receptor revealed by a multi-site ion model," Nature Communications, Nature, vol. 11(1), pages 1-10, December.
    • Handle: RePEc:nat:natcom:v:11:y:2020:i:1:d:10.1038_s41467-020-14573-w
    DOI: 10.1038/s41467-020-14573-w
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