Understanding Voltage Gating of Providencia stuartii Porins at Atomic Level

doi:10.1371/journal.pcbi.1004255

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	Understanding Voltage Gating of Providencia stuartii Porins at Atomic Level
	Song, Wanling 3; Bajaj, Harsha 2; Nasrallah, Chady 1,4,5; Jiang, Hualiang3 ; Winterhalter, Mathias 2; Colletier, Jacques-Philippe 1,4,5; Xu, Yechun3
刊名	PLOS COMPUTATIONAL BIOLOGY
	2015-05
卷号	11 期号:5
ISSN号	1553-734X
DOI	10.1371/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.
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
WOS研究方向	Biochemistry & Molecular Biology ; Mathematical & Computational Biology
语种	英语
出版者	PUBLIC LIBRARY SCIENCE
WOS记录号	WOS:000356700200032
内容类型	期刊论文
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).