Unraveling of a Strongly Correlated Dynamical Network of Residues Controlling the Permeation of Potassium in KcsA Ion Channel.
Unraveling of a Strongly Correlated Dynamical Network of Residues Controlling the Permeation of Potassium in KcsA Ion Channel.
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DOI：
10.3390/e23010072
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发表时间：
2021-01-06
期刊：
影响因子：
--
通讯作者：
Khovanov IA
中科院分区：
文献类型：
--
作者：
Cosseddu SM;Choe EJ;Khovanov IA
钾离子通道KCSA中复杂的单通道电流模式是由选择性过滤器的结构变化决定的。比较分析了野生型KCsA通道及其突变体的动力学特性。一个强相关的相互作用残基的动态网络被发现在调节野生型通道的状态方面起着关键作用。该网络以天冬氨酸D80为中心，通过与E71、R64、R89和W67残基之间的氢键作用而发挥枢纽的作用。残留物D80还通过其主干影响选择性过滤器。这个网络进一步折衷了位于通道内的离子和水分子，从而导致了相互影响：渗透取决于网络中残留物的构型，而网络残留物的动态取决于离子和水分子在选择性过滤器中的位置。该网络的一些特征提供了对描述KCSA活性的实验结果的进一步理解。具体地说，阴离子脂类的存在对于通道功能的必要性通过脂类与精氨酸残基R64和R89之间的相互作用来解释，该相互作用防止了选择性过滤器的结构的不稳定。
The complicated patterns of the single-channel currents in potassium ion channel KcsA are governed by the structural variability of the selectivity filter. A comparative analysis of the dynamics of the wild type KcsA channel and several of its mutants showing different conducting patterns was performed. A strongly correlated dynamical network of interacting residues is found to play a key role in regulating the state of the wild type channel. The network is centered on the aspartate D80 which plays the role of a hub by strong interacting via hydrogen bonds with residues E71, R64, R89, and W67. Residue D80 also affects the selectivity filter via its backbones. This network further compromises ions and water molecules located inside the channel that results in the mutual influence: the permeation depends on the configuration of residues in the network, and the dynamics of network’s residues depends on locations of ions and water molecules inside the selectivity filter. Some features of the network provide a further understanding of experimental results describing the KcsA activity. In particular, the necessity of anionic lipids to be present for functioning the channel is explained by the interaction between the lipids and the arginine residues R64 and R89 that prevents destabilizing the structure of the selectivity filter.
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DOI：
10.1085/jgp.200709844
发表时间：
2007-11
期刊：
The Journal of general physiology
影响因子：
--
作者：
Chakrapani S;Cordero-Morales JF;Perozo E
通讯作者：
Perozo E
影响因子：
64.8
作者：
通讯作者：
--
影响因子：
3.4
作者：
Cordero-Morales, Julio F.;Jogini, Vishwanath;Perozo, Eduardo
通讯作者：
Perozo, Eduardo
影响因子：
3.4
作者：
Bucher, Denis;Guidoni, Leonardo;Rothlisberger, Ursula
通讯作者：
Rothlisberger, Ursula
影响因子：
16.8
作者：
Cordero-Morales, Julio F.;Jogini, Vishwanath;Perozo, Eduardo
通讯作者：
Perozo, Eduardo