通过狭窄跨膜通道的电压驱动水合阳离子运输的模拟。
Simulation of voltage-driven hydrated cation transport through narrow transmembrane channels.
作者信息
Skerra A, Brickmann J
出版信息
Biophys J. 1987 Jun;51(6):977-83. doi: 10.1016/S0006-3495(87)83425-2.
Abstract
Molecular dynamics studies for the voltage-driven transport of the alkali metal ions lithium, sodium, and potassium through gramicidin A-type channels filled with water molecules are presented. The number of water molecules in the channel is obtained from a previous study (Skerra, A., and J. Brickmann, 1987, Biophys. J., 51:969-976). It is shown that the selectivity of the intrachannel ion diffusion through our model pore conforms to the experimentally observed selectivity of the gramicidin A channel. It is demonstrated that the number of water molecules in the channel plays a key role for the selectivity.
摘要
本文展示了关于碱金属离子锂、钠和钾通过充满水分子的短杆菌肽A类通道的电压驱动传输的分子动力学研究。通道中的水分子数量取自先前的一项研究（Skerra, A.和J. Brickmann, 1987, 《生物物理杂志》, 51:969 - 976）。结果表明，通过我们的模型孔隙的通道内离子扩散选择性符合短杆菌肽A通道的实验观察选择性。结果证明，通道中的水分子数量对选择性起着关键作用。
相似文献
1
Simulation of voltage-driven hydrated cation transport through narrow transmembrane channels.通过狭窄跨膜通道的电压驱动水合阳离子运输的模拟。
Biophys J. 1987 Jun;51(6):977-83. doi: 10.1016/S0006-3495(87)83425-2.
2
Structure and dynamics of one-dimensional ionic solutions in biological transmembrane channels.生物跨膜通道中一维离子溶液的结构与动力学
Biophys J. 1987 Jun;51(6):969-76. doi: 10.1016/S0006-3495(87)83424-0.
3
Structure and dynamics of ion transport through gramicidin A.离子通过短杆菌肽A的转运结构与动力学
Biophys J. 1984 Aug;46(2):229-48. doi: 10.1016/S0006-3495(84)84016-3.
4
Ion transport through gramicidin A. Water structure and functionality.通过短杆菌肽A的离子转运。水的结构与功能。
Z Naturforsch C J Biosci. 1993 Jul-Aug;48(7-8):654-65. doi: 10.1515/znc-1993-7-820.
5
Ion permeation through the gramicidin channel: atomically detailed modeling by the Stochastic Difference Equation.离子通过短杆菌肽通道的渗透：基于随机差分方程的原子级详细建模。
Proteins. 2003 Jan 1;50(1):63-80. doi: 10.1002/prot.10256.
6
Molecular dynamics simulation of cation motion in water-filled gramicidinlike pores.充满水的类短杆菌肽孔中阳离子运动的分子动力学模拟
Biophys J. 1984 Dec;46(6):805-19. doi: 10.1016/S0006-3495(84)84079-5.
7
Binding constants of Li+, K+, and Tl+ in the gramicidin channel determined from water permeability measurements.通过水渗透性测量确定的短杆菌肽通道中Li⁺、K⁺和Tl⁺的结合常数。
Biophys J. 1981 Aug;35(2):485-99. doi: 10.1016/S0006-3495(81)84804-7.
8
Evaluation of surface tension and ion occupancy effects on gramicidin A channel lifetime.短杆菌肽A通道寿命的表面张力和离子占据效应评估。
Biophys J. 1988 Apr;53(4):541-8. doi: 10.1016/S0006-3495(88)83134-5.
9
Theoretical study of the antiparallel double-stranded helical dimer of gramicidin as an ion channel.短杆菌肽作为离子通道的反平行双链螺旋二聚体的理论研究。
Biophys J. 1988 Sep;54(3):519-26. doi: 10.1016/S0006-3495(88)82984-9.
10
Ion fluxes through nanopores and transmembrane channels.离子通过纳米孔和跨膜通道的通量。
Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Mar;85(3 Pt 1):031914. doi: 10.1103/PhysRevE.85.031914. Epub 2012 Mar 26.
引用本文的文献
1
Water Transport and Ion Diffusion Investigation of an Amphotericin B-Based Channel Applied to Forward Osmosis: A Simulation Study.基于两性霉素B的通道用于正向渗透的水传输和离子扩散研究：一项模拟研究
Membranes (Basel). 2021 Aug 24;11(9):646. doi: 10.3390/membranes11090646.
2
Harmonic oscillators: the quantization of simple systems in the old quantum theory and their functional roles in biology.谐振子：旧量子理论中简单系统的量子化及其在生物学中的功能作用。
Mol Cell Biochem. 2008 Mar;310(1-2):19-42. doi: 10.1007/s11010-007-9662-8. Epub 2008 Jan 5.
3
The proton-driven rotor of ATP synthase: ohmic conductance (10 fS), and absence of voltage gating.ATP合酶的质子驱动转子：欧姆电导（10飞西门子），且无电压门控。
Biophys J. 2004 Jun;86(6):4094-109. doi: 10.1529/biophysj.103.036962.
4
Dynamic properties of Na+ ions in models of ion channels: a molecular dynamics study.离子通道模型中钠离子的动力学特性：一项分子动力学研究。
Biophys J. 1998 Dec;75(6):2767-82. doi: 10.1016/S0006-3495(98)77720-3.
5
Absence of effects of low-frequency, low-amplitude magnetic fields on the properties of gramicidin A channels.低频、低振幅磁场对短杆菌肽A通道特性无影响。
Biophys J. 1994 Oct;67(4):1473-83. doi: 10.1016/S0006-3495(94)80621-6.
6
Water and polypeptide conformations in the gramicidin channel. A molecular dynamics study.短杆菌肽通道中的水与多肽构象。一项分子动力学研究。
Biophys J. 1989 Aug;56(2):253-61. doi: 10.1016/S0006-3495(89)82671-2.
7
Stochastic theory of singly occupied ion channels. II. Effects of access resistance and potential gradients extending into the bath.单占据离子通道的随机理论。II. 延伸至浴槽中的接入电阻和电位梯度的影响。
Biophys J. 1989 Jan;55(1):147-57. doi: 10.1016/S0006-3495(89)82786-9.
8
Application of Brownian motion theory to the analysis of membrane channel ionic trajectories calculated by molecular dynamics.布朗运动理论在分子动力学计算的膜通道离子轨迹分析中的应用。
Biophys J. 1988 Oct;54(4):751-6. doi: 10.1016/S0006-3495(88)83012-1.
9
The 20-pS chloride channel of the human airway epithelium.人气道上皮细胞的20皮秒氯离子通道。
Biophys J. 1990 Feb;57(2):223-30. doi: 10.1016/S0006-3495(90)82525-X.
10
Ion transport in a model gramicidin channel. Structure and thermodynamics.短杆菌肽通道模型中的离子运输。结构与热力学。
Biophys J. 1991 May;59(5):961-81. doi: 10.1016/S0006-3495(91)82311-6.
本文引用的文献
1
Ion-specific diffusion rates through transmembrane protein channels. A molecular dynamics study.离子通过跨膜蛋白通道的特异性扩散速率：一项分子动力学研究
Biophys Chem. 1983 Nov;18(4):323-37. doi: 10.1016/0301-4622(83)80045-3.
2
Microscopic calculation of ion-transport rates in membrane channels.膜通道中离子转运速率的微观计算。
Biophys Chem. 1982 May;15(2):89-100. doi: 10.1016/0301-4622(82)80021-5.
3
Molecular dynamics study of ion transport in transmembrane protein channels.跨膜蛋白通道中离子转运的分子动力学研究
Biophys Chem. 1981 Apr;13(2):105-16. doi: 10.1016/0301-4622(81)80009-9.
4
Fluctuations of barrier structure in ionic channels.离子通道中屏障结构的波动。
Biochim Biophys Acta. 1980 Oct 16;602(1):167-80. doi: 10.1016/0005-2736(80)90299-0.
5
Structure and dynamics of ion transport through gramicidin A.离子通过短杆菌肽A的转运结构与动力学
Biophys J. 1984 Aug;46(2):229-48. doi: 10.1016/S0006-3495(84)84016-3.
6
The gramicidin A channel: comparison of the energy profiles of Na+, K+ and Cs+. Influence of the flexibility of the ethanolamine end chain on the profiles.短杆菌肽A通道：Na⁺、K⁺和Cs⁺能量分布的比较。乙醇胺端链柔性对分布的影响。
FEBS Lett. 1984 Aug 6;173(2):301-6. doi: 10.1016/0014-5793(84)80795-4.
7
Water structure in the Gramicidin A transmembrane channel.短杆菌肽A跨膜通道中的水结构。
Biochim Biophys Acta. 1984 Apr 11;771(2):151-64. doi: 10.1016/0005-2736(84)90527-3.
8
Entropy effects on the ion-diffusion rate in transmembrane protein channels.熵对跨膜蛋白通道中离子扩散速率的影响。
Biophys Chem. 1983 Apr;17(3):245-58. doi: 10.1016/0301-4622(83)87007-0.
9
Ion movement through gramicidin A channels. Studies on the diffusion-controlled association step.离子通过短杆菌肽A通道的运动。扩散控制缔合步骤的研究。
Biophys J. 1983 Feb;41(2):147-65. doi: 10.1016/S0006-3495(83)84416-6.
10
Molecular dynamics simulation of cation motion in water-filled gramicidinlike pores.充满水的类短杆菌肽孔中阳离子运动的分子动力学模拟
Biophys J. 1984 Dec;46(6):805-19. doi: 10.1016/S0006-3495(84)84079-5.
Zotero 插件