NIMTE OpenIR  > 2018专题
The permeation mechanism of organic cations through a CNG mimic channel
Napolitano, Luisa M. R.; Marchesi, Arin; Rodriguez, Alex; De March, Matteo; Onesti, Silvia; Laio, Alessandro; Torre, Vincent
2018
发表期刊PLOS COMPUTATIONAL BIOLOGY
卷号14期号:8
摘要Several channels, ranging from TRP receptors to Gap junctions, allow the exchange of small organic solute across cell membrane. However, very little is known about the molecular mechanism of their permeation. Cyclic Nucleotide Gated (CNG) channels, despite their homology with K+ channels and in contrast with them, allow the passage of larger methylated and ethylated ammonium ions like dimethylammonium (DMA) and ethylammonium (EA). We combined electrophysiology and molecular dynamics simulations to examine how DMA interacts with the pore and permeates through it. Due to the presence of hydrophobic groups, DMA enters easily in the channel and, unlike the alkali cations, does not need to cross any barrier. We also show that while the crystal structure is consistent with the presence of a single DMA ion at full occupancy, the channel is able to conduct a sizable current of DMA ions only when two ions are present inside the channel. Moreover, the second DMA ion dramatically changes the free energy landscape, destabilizing the crystallographic binding site and lowering by almost 25 kJ/mol the binding affinity between DMA and the channel. Based on the results of the simulation the experimental electron density maps can be reinterpreted with the presence of a second ion at lower occupancy. In this mechanism the flexibility of the channel plays a key role, extending the classical multi-ion permeation paradigm in which conductance is enhanced by the plain interaction between the ions.
关键词Nucleotide-gated Channels Potassium Channels Ion Selectivity Calcium Channels K++ Channel Pore Conduction Binding Rods Permeability
学科领域Science & Technology - Other Topics ; Materials Science
语种英语
文献类型期刊论文
条目标识符http://ir.nimte.ac.cn/handle/174433/17272
专题2018专题
推荐引用方式
GB/T 7714
Napolitano, Luisa M. R.,Marchesi, Arin,Rodriguez, Alex,et al. The permeation mechanism of organic cations through a CNG mimic channel[J]. PLOS COMPUTATIONAL BIOLOGY,2018,14(8).
APA Napolitano, Luisa M. R..,Marchesi, Arin.,Rodriguez, Alex.,De March, Matteo.,Onesti, Silvia.,...&Torre, Vincent.(2018).The permeation mechanism of organic cations through a CNG mimic channel.PLOS COMPUTATIONAL BIOLOGY,14(8).
MLA Napolitano, Luisa M. R.,et al."The permeation mechanism of organic cations through a CNG mimic channel".PLOS COMPUTATIONAL BIOLOGY 14.8(2018).
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Napolitano, Luisa M. R.]的文章
[Marchesi, Arin]的文章
[Rodriguez, Alex]的文章
百度学术
百度学术中相似的文章
[Napolitano, Luisa M. R.]的文章
[Marchesi, Arin]的文章
[Rodriguez, Alex]的文章
必应学术
必应学术中相似的文章
[Napolitano, Luisa M. R.]的文章
[Marchesi, Arin]的文章
[Rodriguez, Alex]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。