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Understanding Voltage Gating of Providencia stuartii Porins at Atomic Level

文献类型：期刊论文

作者Song, Wanling3; Bajaj, Harsha2; Nasrallah, Chady1,4,5; Jiang, Hualiang3; Winterhalter, Mathias2; Colletier, Jacques-Philippe1,4,5; Xu, Yechun3
刊名PLOS COMPUTATIONAL BIOLOGY
出版日期2015-05
卷号11期号:5
ISSN号1553-734X
DOI10.1371/journal.pcbi.1004255
文献子类Article
英文摘要Bacterial porins are water-filled beta-barrel channels that allow translocation of solutes across the outer membrane. They feature a constriction zone, contributed by the plunging of extracellular loop 3 (L3) into the channel lumen. Porins are generally in the open state, but undergo gating in response to external voltages. To date the underlying mechanism is unclear. Here we report results from molecular dynamics simulations on the two porins of Providenica stuartii, Omp-Pst1 and Omp-Pst2, which display distinct voltage sensitivities. Voltage gating was observed in Omp-Pst2, where the binding of cations in-between L3 and the barrel wall results in exposing a conserved aromatic residue in the channel lumen, thereby halting ion permeation. Comparison of Omp-Pst1 and Omp-Pst2 structures and trajectories suggests that their sensitivity to voltage is encoded in the hydrogen-bonding network anchoring L3 onto the barrel wall, as we observed that it is the strength of this network that governs the probability of cations binding behind L3. That Omp-Pst2 gating is observed only when ions flow against the electrostatic potential gradient of the channel furthermore suggests a possible role for this porin in the regulation of charge distribution across the outer membrane and bacterial homeostasis.
WOS关键词ESCHERICHIA-COLI PORIN ; MOLECULAR-DYNAMICS SIMULATIONS ; OMPF PORIN ; OUTER-MEMBRANE ; BACTERIAL PORIN ; LIPID-BILAYERS ; CONSTRICTION LOOP ; CHARGED RESIDUES ; ION CHANNELS ; COIL PORINS
资助项目Chinese Academy of Sciences (CAS)[00000000] ; CAS-Novo Nordisk Great Wall Professorship[00000000] ; CAS[00000000] ; Prime d' Excellence Scientifique of CNRS[00000000] ; National Natural Science Foundation of China[31150110578] ; National Natural Science Foundation of China[21172233] ; National Natural Science Foundation of China[81422047] ; National ST Major Project[2012ZX09301001-005]
WOS研究方向Biochemistry & Molecular Biology ; Mathematical & Computational Biology
语种英语
WOS记录号WOS:000356700200032
出版者PUBLIC LIBRARY SCIENCE
源URL[http://119.78.100.183/handle/2S10ELR8/276542]  
专题药物发现与设计中心
通讯作者Song, Wanling
作者单位1.CEA Grenoble, IBS, F-38054 Grenoble, France
2.Jacobs Univ Bremen, Sch Sci & Engn, D-28759 Bremen, Germany;
3.Chinese Acad Sci, Shanghai Inst Mat Med, Key Lab Receptor Res, Drug Discovery & Design Ctr, Shanghai 200031, Peoples R China;
4.Univ Grenoble Alpes, IBS, Grenoble, France;
5.CNRS, IBS, Grenoble, France;
推荐引用方式
GB/T 7714		 Song, Wanling,Bajaj, Harsha,Nasrallah, Chady,et al. Understanding Voltage Gating of Providencia stuartii Porins at Atomic Level[J]. PLOS COMPUTATIONAL BIOLOGY,2015,11(5).
APA Song, Wanling.,Bajaj, Harsha.,Nasrallah, Chady.,Jiang, Hualiang.,Winterhalter, Mathias.,...&Xu, Yechun.(2015).Understanding Voltage Gating of Providencia stuartii Porins at Atomic Level.PLOS COMPUTATIONAL BIOLOGY,11(5).
MLA Song, Wanling,et al."Understanding Voltage Gating of Providencia stuartii Porins at Atomic Level".PLOS COMPUTATIONAL BIOLOGY 11.5(2015).

入库方式： OAI收割

来源：上海药物研究所

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