离子与野生型和突变型骨骼肌兰尼碱受体管腔侧的相互作用。
Interaction of ions with the luminal sides of wild-type and mutated skeletal muscle ryanodine receptors.
作者信息
Schilling Roman, Fink Rainer H A, Fischer Wolfgang B
机构信息
Medical Biophysics Group, Institute of Physiology and Pathophysiology, University of Heidelberg, 69120, Heidelberg, Germany.
Institute of Biophotonics, School of Biomedical Science and Engineering, National Yang-Ming University, 155, Li-Non St., Sec. 2, Taipei, 112, Taiwan.
出版信息
J Mol Model. 2016 Jan;22(1):37. doi: 10.1007/s00894-015-2906-8. Epub 2016 Jan 19.
Ryanodine receptors (RyRs) are the largest known ion channels, and are of central importance for the release of Ca(2+) from the sarco/endoplasmic reticulum (SR/ER) in a variety of cells. In cardiac and skeletal muscle cells, contraction is triggered by the release of Ca(2+) into the cytoplasm and thus depends crucially on correct RyR function. In this work, in silico mutants of the RyR pore were generated and MD simulations were conducted to examine the impact of the mutations on the Ca(2+) distribution. The Ca(2+) distribution pattern on the luminal side of the RyR was most affected by G4898R, D4899Q, E4900Q, R4913E, and D4917A mutations. MD simulations with our wild-type model and various ion species showed a preference for Ca(2+) over other cations at the luminal pore entrance. This Ca(2+)-accumulating characteristic of the luminal RyR side may be essential to the conductance properties of the channel.
雷诺丁受体（RyRs）是已知最大的离子通道，对于多种细胞中肌浆网/内质网（SR/ER）释放Ca(2+)至关重要。在心肌和骨骼肌细胞中，Ca(2+)释放到细胞质中触发收缩，因此关键取决于正确的RyR功能。在这项研究中，生成了RyR孔的计算机模拟突变体，并进行了分子动力学（MD）模拟，以研究这些突变对Ca(2+)分布的影响。G4898R、D4899Q、E4900Q、R4913E和D4917A突变对RyR腔内侧的Ca(2+)分布模式影响最大。对我们的野生型模型和各种离子种类进行的MD模拟表明，在腔孔入口处，Ca(2+)比其他阳离子更受青睐。RyR腔侧的这种Ca(2+)积累特性可能对通道的传导特性至关重要。
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