[瞬时受体电位香草酸亚型8离子通道中选择性过滤器的结构建模]
[Structural modeling of selectivity filter in transient receptor pontential melastatin 8 ion channel].
作者信息
Xu Lizhen, Yang Fan
机构信息
Department of Biophysics, Zhejiang University School of Medicine, Hangzhou 310058, China.
出版信息
Zhejiang Da Xue Xue Bao Yi Xue Ban. 2019 May 25;48(1):19-24. doi: 10.3785/j.issn.1008-9292.2019.02.04.
OBJECTIVE
To construct a three-dimensional structural model for the selectivity filter in the transient receptor pontential melastatin 8 (TRPM8) ion channel.
METHODS
In the Rosetta computational structural biology suite, multiple rounds of modeling with the kinematic loop closure algorithm were performed.
RESULTS
After nine rounds of computational modeling, we obtained the models of the selectivity filter within the TRPM8 channel with the lowest energy and high convergence. The model showed that the sidechain of D918 points were away from the central ion permeation pathway, while the sidechains of Q914, D920 and T923 pointed towards it. The glycosylation site N934 was located outside the pore region and its side chain directed to the extracellular water environment.
CONCLUSIONS
A three-dimensional structural model for the selectivity filter in the TRPM8 ion channel was constructed, which provides reliable structural information for exploring the mechanism of ion selectivity.
目的
构建瞬时受体电位香草酸亚型8（TRPM8）离子通道选择性过滤器的三维结构模型。
方法
在Rosetta计算结构生物学套件中，使用运动学环闭合算法进行多轮建模。
结果
经过九轮计算建模，我们获得了TRPM8通道内能量最低且收敛性高的选择性过滤器模型。该模型显示，D918的侧链远离中央离子渗透途径，而Q914、D920和T923的侧链指向该途径。糖基化位点N934位于孔区域之外，其侧链指向细胞外水环境。
结论
构建了TRPM8离子通道选择性过滤器的三维结构模型，为探索离子选择性机制提供了可靠的结构信息。
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