Oscillation of S5 helix under different temperatures in determination of the open probability of TRPV1 channel

doi:10.1088/1674-1056/aba600

Abstract Transient receptor potential vanilloid subtype 1 (TRPV1) is a polymodel sensory receptor and can be activated by moderate temperature (≥ 43 ℃). Though extensive researches on the heat-activation mechanism revealed some key elements that participate in the heat-sensation pathway, the detailed thermal-gating mechanism of TRPV1 is still unclear. We investigate the heat-activation process of TRPV1 channel using the molecular dynamics simulation method at different temperatures. It is found that the favored state of the supposed upper gate of TRPV1 cannot form constriction to ion permeation. Oscillation of S5 helix originated from thermal fluctuation and forming/breaking of two key hydrogen bonds can transmit to S6 helix through the hydrophobic contact between S5 and S6 helix. We propose that this is the pathway from heat sensor of TRPV1 to the opening of the lower gate. The heat-activation mechanism of TRPV1 presented in this work can help further functional study of TRPV1 channel.

Keywords: TRPV1 heat-activation mechanism molecular dynamics simulation hydrogen bond gating

Received: 24 April 2020
Revised: 06 July 2020
Accepted manuscript online: 15 July 2020

PACS:	87.16.Vy	(Ion channels)
	87.10.Tf	(Molecular dynamics simulation)
	87.15.hp	(Conformational changes)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 81830061 and 11605038), the Natural Science Foundation of Hebei Province of China (Grant No. A2020202007), and the Natural Science Foundation of Tianjin of China (Grant No. 19JCYBJC28300).

Corresponding Authors: Yi-Zhao Geng, Jing-Qin Wang
E-mail: gengyz@hebut.edu.cn;jqwang@hebut.edu.cn

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Tie Li(李铁), Jun-Wei Li(李军委), Chun-Li Pang(庞春丽), Hailong An(安海龙), Yi-Zhao Geng(耿轶钊), Jing-Qin Wang(王景芹) Oscillation of S5 helix under different temperatures in determination of the open probability of TRPV1 channel 2020 Chin. Phys. B 29 098701

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Oscillation of S5 helix under different temperatures in determination of the open probability of TRPV1 channel

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