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Identification of the Conformational transition pathway in PIP2 Opening Kir Channels
Li JW; Lv SQ(吕守芹); Liu YZ; Pang CL; Chen YF; Zhang SH; Yu H; Long M(龙勉); Zhang HL; Logothetis DE; Zhan Y; An HL; An, HL (reprint author), Hebei Univ Technol, Inst Biophys, Sch Sci, Key Lab Mol Biophys, Tianjin 300401, Hebei Province, Peoples R China.
2015-06-11
发表期刊SCIENTIFIC REPORTS
卷号5页码:11289
ISSN2045-2322
摘要

The gating of Kir channels depends critically on phosphatidylinositol 4,5-bisphosphate (PIP2), but the detailed mechanism by which PIP2 regulates Kir channels remains obscure. Here, we performed a series of Targeted molecular dynamics simulations on the full-length Kir2.1 channel and, for the first time, were able to achieve the transition from the closed to the open state. Our data show that with the upward motion of the cytoplasmic domain (CTD) the structure of the C-Linker changes from a loop to a helix. The twisting of the C-linker triggers the rotation of the CTD, which induces a small downward movement of the CTD and an upward motion of the slide helix toward the membrane that pulls the inner helix gate open. At the same time, the rotation of the CTD breaks the interaction between the CD- and G-loops thus releasing the G-loop. The G-loop then bounces away from the CD-loop, which leads to the opening of the G-loop gate and the full opening of the pore. We identified a series of interaction networks, between the N-terminus, CD loop, C linker and G loop one by one, which exquisitely regulates the global conformational changes during the opening of Kir channels by PIP2.

DOI10.1038/srep11289
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收录类别SCI
语种英语
WOS记录号WOS:000356099300001
WOS研究方向Science & Technology - Other Topics
WOS类目Multidisciplinary Sciences
项目资助者National Natural Science Foundation of China [11247010, 11175055, 11475053, 11347017] ; NIH R01 grant [HL059949] ; Natural Science Foundation of the Hebei Province of China [C2012202079, C2015202340]
课题组名称NML分子-细胞生物力学与空间生命科学
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文献类型期刊论文
条目标识符http://dspace.imech.ac.cn/handle/311007/54972
专题国家微重力实验室
通讯作者An, HL (reprint author), Hebei Univ Technol, Inst Biophys, Sch Sci, Key Lab Mol Biophys, Tianjin 300401, Hebei Province, Peoples R China.
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Li JW,Lv SQ,Liu YZ,et al. Identification of the Conformational transition pathway in PIP2 Opening Kir Channels[J]. SCIENTIFIC REPORTS,2015,5:11289.
APA Li JW.,Lv SQ.,Liu YZ.,Pang CL.,Chen YF.,...&An, HL .(2015).Identification of the Conformational transition pathway in PIP2 Opening Kir Channels.SCIENTIFIC REPORTS,5,11289.
MLA Li JW,et al."Identification of the Conformational transition pathway in PIP2 Opening Kir Channels".SCIENTIFIC REPORTS 5(2015):11289.
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