Significance of Zn2+ in RyR1 for Structural Integrity and Ligand Binding: Insight from Molecular Dynamics
Panyakorn Taweechat,
Panisak Boonamnaj,
Montserrat Samsó
et al.
Abstract:Ryanodine receptor type 1 (RyR1) is a Ca 2+ -release channel central to skeletal muscle excitation−contraction (EC) coupling. RyR1's cryo-EM structures reveal a zinc-finger motif positioned within the cytoplasmic C-terminal domain (CTD). Yet, owing to limitations in cryo-EM resolution, RyR1 structures lack precision in detailing the metal coordination structure, prompting the need for an accurate model. In this study, we employed molecular dynamics (MD) simulations and the density functional theory (DFT) metho… Show more
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