Inherent Dynamics of Head Domain Correlates with ATP-Recognition of P2X4 Receptors: Insights Gained from Molecular Simulations

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成果类型：

期刊论文

作者：

Huang, Li-Dong;Fan, Ying-Zhe;Tian, Yun;Yang, Yang;Liu, Yan;...

通讯作者：

Yu, Ye

作者机构：

[Liu, Yan; Zhou, Wen-Chao; Zhao, Wen-Shan; Wang, Jin; Yu, Ye; Yang, Yang; Cheng, Xiao-Yang; Huang, Li-Dong] Shanghai Jiao Tong Univ, Sch Med, Dept Pharmacol, Shanghai 200030, Peoples R China.

[Liu, Yan; Zhou, Wen-Chao; Zhao, Wen-Shan; Wang, Jin; Yu, Ye; Yang, Yang; Cheng, Xiao-Yang; Huang, Li-Dong] Shanghai Jiao Tong Univ, Sch Med, Inst Med Sci, Shanghai 200030, Peoples R China.

[Tian, Yun; Yu, Ye; Lu, Xiang-Yang] Hunan Agr Univ, Coll Biosci & Biotechnol, Changsha, Hunan, Peoples R China.

[Zhou, Wen-Chao; Fan, Ying-Zhe] Shanghai Univ Chinese Tradit Med, Putuo Dist Ctr Hosp, Shanghai, Peoples R China.

[Cao, Peng] Jiangsu Prov Inst Tradit Chinese Med, Nanjing, Jiangsu, Peoples R China.

通讯机构：

[Yu, Ye] S

Shanghai Jiao Tong Univ, Sch Med, Dept Pharmacol, Shanghai 200030, Peoples R China.

语种：

英文

关键词：

Crystal structure;Adenine;Free energy;Receptor physiology;Principal component analysis;Built structures;Ion channel gating;Receptor potentials

期刊：

PLOS ONE

ISSN：

1932-6203

年：

2014

卷：

期：

页码：

e97528-

DOI：

10.1371/journal.pone.0097528

基金类别：

National Program on Key Basic Research Project of ChinaNational Basic Research Program of China [2014CB910300, 2014CB910302, 2010CB529800]; National Excellent Young Scientist Foundation of China [31222018]; National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [31170787]; Key National S&T Program "Major New Drug Development'' Grant [2012ZX09504001-003]; Natural Science Foundation of ShanghaiNatural Science Foundation of Shanghai [12ZR1415600]; Jiangsu Province [SBK201241903]; Shanghai Jiao Tong University-SMC Mutual Funds; Chinese Academy of Sciences, Shanghai Institute of Organic Chemistry

机构署名：

本校为其他机构

院系归属：

生物科学技术学院

摘要：

P2X receptors are ATP-gated ion channels involved in many physiological functions, and determination of ATP-recognition (AR) of P2X receptors will promote the development of new therapeutic agents for pain, inflammation, bladder dysfunction and osteoporosis. Recent crystal structures of the zebrafish P2X4 (zfP2X4) receptor reveal a large ATP-binding pocket (ABP) located at the subunit interface of zfP2X4 receptors, which is occupied by a conspicuous cluster of basic residues to recognize triphosphate moiety of ATP. Using the engineered affinity labeling and molecular modeling, at least three s...

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Inherent Dynamics of Head Domain Correlates with ATP-Recognition of P2X4 Receptors: Insights Gained from Molecular Simulations

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