Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study
文献类型：期刊论文
| 作者 | Xu, YC; Barrantes, FJ; Luo, XM; Chen, KX; Shen, JH; Jiang, HL |
| 刊名 | Journal of the american chemical society
 |
| 出版日期 | 2005-02-02 |
| 卷号 | 127期号:4页码:1291-1299 |
| ISSN号 | 0002-7863 |
| DOI | 10.1021/ja044577i |
| 通讯作者 | Shen, jh() |
| 英文摘要 | The nicotinic acetylcholine receptor (achr) is the paradigm of ligand-gated ion channels, integral membrane proteins that mediate fast intercellular communication in response to neurotransmitters. a 35-ns molecular dynamics simulation has been performed to explore the conformational dynamics of the entire membrane-spanning region, including the ion channel pore of the achr. in the simulation, the 20 transmembrane (tm) segments that comprise the whole tm domain of the receptor were inserted into a large dipalmitoylphosphatidylcholine (dppc) bilayer. the dynamic behavior of individual tm segments and their corresponding achr subunit helix bundles was examined in order to assess the contribution of each to the conformational transitions of the whole channel. asymmetrical and asynchronous motions of the m1-m3 tm segments of each subunit were revealed. in addition, the outermost ring of five m4 tm helices was found to convey the effects exerted by the lipid molecules to the central channel domain. remarkably, a closed-to-open conformational shift was found to occur in one of the channel ring positions in the time scale of the present simulations, the possible physiological significance of which is discussed. |
| WOS关键词 | PARTICLE MESH EWALD ; SECONDARY STRUCTURE ; ION-CHANNEL ; LIPID-BILAYERS ; TRANSMEMBRANE SEGMENT ; INFRARED-SPECTROSCOPY ; SPATIAL STRUCTURE ; PORE DIMENSIONS ; ALPHA-SUBUNIT ; DOMAIN |
| WOS研究方向 | Chemistry |
| WOS类目 | Chemistry, Multidisciplinary |
| 语种 | 英语 |
| WOS记录号 | WOS:000226683800049 |
| 出版者 | AMER CHEMICAL SOC |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2377849 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Shen, JH |
| 作者单位 | 1.Chinese Acad Sci, Grad Sch, Shanghai 201203, Peoples R China 2.Shanghai Inst Mat Media, Ctr Drug Discovery & Design, State Key Lab Drug Res, Shanghai, Peoples R China 3.Inst Invest Bioquim Bahia Blanca, Bahia Blanca, Argentina 4.UNESCO, Chair Biophys & Mol Neurobiol, Bahia Blanca, Argentina 5.E China Univ Sci & Technol, Sch Pharm, Shanghai 200237, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, YC,Barrantes, FJ,Luo, XM,et al. Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study[J]. Journal of the american chemical society,2005,127(4):1291-1299. |
| APA | Xu, YC,Barrantes, FJ,Luo, XM,Chen, KX,Shen, JH,&Jiang, HL.(2005).Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study.Journal of the american chemical society,127(4),1291-1299. |
| MLA | Xu, YC,et al."Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study".Journal of the american chemical society 127.4(2005):1291-1299. |
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来源：中国科学院大学
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