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Molecular Mechanisms of Mercury-Sensitive Aquaporins

文献类型：期刊论文

作者Xie, Huayong1; Ma, Shaojie1,2,3,4; Zhao, Yongxiang1; Zhou, Hu5; Tong, Qiong1,3,4; Chen, Yanke1; Zhang, Zhengfeng1; Yu, Kunqian2; Lin, Qingsong5; Kai, Lei6
刊名JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
出版日期2022-11-22
页码13
ISSN号0002-7863
DOI10.1021/jacs.2c10240
通讯作者Yu, Kunqian(yukunqian@simm.ac.cn) ; Lin, Qingsong(dbslinqs@nus.edu.sg) ; Yang, Jun(yangjun@wipm.ac.cn)
英文摘要Aquaporins are transmembrane channels that allow for the passive permeation of water and other small molecules across biological membranes. Their channel activities are sensitive to mercury ions. Intriguingly, while most aquaporins are inhibited by mercury ions, several aquaporins are activated by mercury ions. The molecular basis of the opposing aquaporin regulation by mercury remains poorly understood. Herein, we investigated AqpZ inhibition and AQP6 activation upon binding of mercury ions using solid-state NMR (ssNMR) and molecular dynamics (MD) simulations. Based on the structure of the Hg-AqpZ complex constructed by MD simulations and ssNMR, we identified that the pore closure was caused by mercury-induced conformational changes of the key residue R189 in the selectivity filter region, while pore opening was caused by conformational changes of residues H181 and R196 in the selectivity filter region in AQP6. Both conformational changes were caused by the disruption of the H-bond network of R189/R196 by mercury. The molecular details provided a structural basis for mercury-mediated functional changes in aquaporins.
WOS关键词WATER PERMEATION ; PROTEIN STRUCTURES ; PROTON EXCLUSION ; STRUCTURAL BASIS ; METAL-BINDING ; COORDINATION ; PERMEABILITY ; DYNAMICS ; SELECTIVITY ; INHIBITION
资助项目National Natural Science Foundation of China ; Chinese Academy of Sciences ; China Postdoctoral Science Foundation ; [21904316] ; [21927801] ; [21991081] ; [22074153] ; [21921004] ; [22004124] ; [YJKYYQ20190032] ; [2020M672455]
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000889799300001
出版者AMER CHEMICAL SOC
源URL[http://119.78.100.183/handle/2S10ELR8/304527]  
专题新药研究国家重点实验室
通讯作者Yu, Kunqian; Lin, Qingsong; Yang, Jun
作者单位1.Chinese Acad Sci, Wuhan Inst Phys & Math, Innovat Acad Precis Measurement Sci & Technol, Natl Ctr Magnet Resonance Wuhan,Key Lab Magnet Res, Wuhan 430071, Peoples R China
2.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, State Key Lab Drug Res, Shanghai 201203, Peoples R China
3.Huazhong Univ Sci & Technol, Coll Life Sci & Technol, Key Lab Mol Biophys, Minist Educ, Wuhan 430074, Peoples R China
4.Huazhong Univ Sci & Technol, Collaborat Innovat Ctr Brain Sci, Wuhan Natl Lab Optoelect, Wuhan 430074, Peoples R China
5.Natl Univ Singapore, NUS Environm Res Inst NERI, Dept Biol Sci, Singapore 117411, Singapore
6.Jiangsu Normal Univ, Sch Life Sci, Xuzhou 221116, Peoples R China
推荐引用方式
GB/T 7714		 Xie, Huayong,Ma, Shaojie,Zhao, Yongxiang,et al. Molecular Mechanisms of Mercury-Sensitive Aquaporins[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2022:13.
APA Xie, Huayong.,Ma, Shaojie.,Zhao, Yongxiang.,Zhou, Hu.,Tong, Qiong.,...&Yang, Jun.(2022).Molecular Mechanisms of Mercury-Sensitive Aquaporins.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,13.
MLA Xie, Huayong,et al."Molecular Mechanisms of Mercury-Sensitive Aquaporins".JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022):13.

入库方式： OAI收割

来源：上海药物研究所

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