离子通道的扩展偶极链模型：电致伸缩效应与转运能垒
Extended dipolar chain model for ion channels: electrostriction effects and the translocational energy barrier.
作者信息
Sancho M, Partenskii M B, Dorman V, Jordan P C
机构信息
Department of Chemistry, Brandeis University, Waltham, Massachusetts 02254.
出版信息
Biophys J. 1995 Feb;68(2):427-33. doi: 10.1016/S0006-3495(95)80204-3.
Abstract
We reinvestigate the dipolar chain model for an ion channel. Our goal is to account for the influence that ion-induced electrostriction of channel water has on the translocational energy barriers experienced by different ions in the channel. For this purpose, we refine our former model by relaxing the positional constraint on the ion and the water dipoles and by including Lennard-Jones contributions in addition to the electrostatic interactions. The positions of the ion and the waters are established by minimization of the free energy. As before, interaction with the external medium is described via the image forces. Application to alkali cations show that the short range interactions modulate the free energy profiles leading to a selectivity sequence for translocation. We study the influence of some structural parameters on this sequence and compare our theoretical predictions with observed results for gramicidin.
摘要
我们重新研究了离子通道的偶极链模型。我们的目标是解释通道水的离子诱导电致伸缩对通道中不同离子所经历的转运能垒的影响。为此，我们通过放宽离子和水偶极的位置约束，并在静电相互作用之外纳入 Lennard-Jones 相互作用，对我们之前的模型进行了改进。离子和水的位置通过自由能最小化来确定。和以前一样，与外部介质的相互作用通过镜像力来描述。对碱金属阳离子的应用表明，短程相互作用调节了自由能分布，导致了转运的选择性序列。我们研究了一些结构参数对该序列的影响，并将我们的理论预测与短杆菌肽的观测结果进行了比较。
相似文献
1
Extended dipolar chain model for ion channels: electrostriction effects and the translocational energy barrier.离子通道的扩展偶极链模型：电致伸缩效应与转运能垒
Biophys J. 1995 Feb;68(2):427-33. doi: 10.1016/S0006-3495(95)80204-3.
2
A semi-microscopic Monte Carlo study of permeation energetics in a gramicidin-like channel: the origin of cation selectivity.类短杆菌肽通道渗透能学的半微观蒙特卡洛研究：阳离子选择性的起源
Biophys J. 1996 Jan;70(1):121-34. doi: 10.1016/S0006-3495(96)79554-1.
3
The nature of ion and water barrier crossings in a simulated ion channel.模拟离子通道中离子与水屏障穿越的性质
Biophys J. 1993 Jan;64(1):98-109. doi: 10.1016/S0006-3495(93)81344-4.
4
Molecular dynamics study of free energy profiles for organic cations in gramicidin A channels.短杆菌肽A通道中有机阳离子自由能分布的分子动力学研究
Biophys J. 1997 Oct;73(4):1699-716. doi: 10.1016/S0006-3495(97)78202-X.
5
Ion transport in the gramicidin channel: molecular dynamics study of single and double occupancy.短杆菌肽通道中的离子转运：单占据和双占据的分子动力学研究
Biophys J. 1995 Mar;68(3):876-92. doi: 10.1016/S0006-3495(95)80264-X.
6
Energetics of ion permeation through membrane channels. Solvation of Na+ by gramicidin A.离子通过膜通道的渗透能学。短杆菌肽A对Na+的溶剂化作用。
Biophys J. 1989 Jul;56(1):171-82. doi: 10.1016/S0006-3495(89)82662-1.
7
Physical origin of selectivity in ionic channels of biological membranes.生物膜离子通道选择性的物理起源。
Biophys J. 1999 Jan;76(1 Pt 1):129-48. doi: 10.1016/S0006-3495(99)77184-5.
8
Ion-water and water-water interactions in a gramicidinlike channel: effects due to group polarizability and backbone flexibility.短杆菌肽样通道中的离子-水和水-水相互作用：基团极化率和主链柔性的影响
Biophys Chem. 1997 Apr 22;65(2-3):123-41. doi: 10.1016/s0301-4622(96)02233-8.
9
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.
10
Structure and dynamics of a proton wire: a theoretical study of H+ translocation along the single-file water chain in the gramicidin A channel.质子线的结构与动力学：关于氢离子沿短杆菌肽A通道中单行水链转运的理论研究
Biophys J. 1996 Jul;71(1):19-39. doi: 10.1016/S0006-3495(96)79211-1.
引用本文的文献
1
Electrostatic field-exposed water in nanotube at constant axial pressure.在恒定轴向压力下，纳米管中暴露于静电场的水。
Sci Rep. 2014 Oct 16;4:6596. doi: 10.1038/srep06596.
2
Ionic permeation free energy in gramicidin: a semimicroscopic perspective.短杆菌肽中的离子渗透自由能：半微观视角
Biophys J. 2004 Jun;86(6):3529-41. doi: 10.1529/biophysj.103.039214.
3
Continuum and atomistic modeling of ion partitioning into a peptide nanotube.离子分配到肽纳米管中的连续介质和原子模型
Biophys J. 2002 Mar;82(3):1176-89. doi: 10.1016/S0006-3495(02)75475-1.
4
Hierarchical approach to predicting permeation in ion channels.预测离子通道渗透的分层方法。
Biophys J. 2001 Nov;81(5):2473-83. doi: 10.1016/S0006-3495(01)75893-6.
5
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.
6
Function of the N-acetyl-L-histidine system in the vertebrate eye. Evidence in support of a role as a molecular water pump.脊椎动物眼中N-乙酰-L-组氨酸系统的功能。支持其作为分子水泵作用的证据。
J Mol Neurosci. 1998 Jun;10(3):193-208. doi: 10.1007/BF02761774.
7
The dielectric properties of water within model transbilayer pores.模型跨膜孔内水的介电特性。
Biophys J. 1997 Nov;73(5):2404-15. doi: 10.1016/S0006-3495(97)78269-9.
8
Electrostatics of a simple membrane model using Green's functions formalism.使用格林函数形式的简单膜模型的静电学
Biophys J. 1996 Aug;71(2):795-810. doi: 10.1016/S0006-3495(96)79281-0.
9
Water in channel-like cavities: structure and dynamics.通道状腔体内的水：结构与动力学
Biophys J. 1996 Feb;70(2):693-702. doi: 10.1016/S0006-3495(96)79609-1.
10
Molecular dynamics simulations of water within models of ion channels.离子通道模型内水分子的分子动力学模拟
Biophys J. 1996 Apr;70(4):1643-61. doi: 10.1016/S0006-3495(96)79727-8.
本文引用的文献
1
Electrostatic modeling of dipole-ion interactions in gramicidinlike channels.在类短杆菌肽通道中偶极-离子相互作用的静电建模。
Biophys J. 1991 Jul;60(1):81-8. doi: 10.1016/S0006-3495(91)82032-X.
2
Cation selective glass electrodes and their mode of operation.阳离子选择性玻璃电极及其工作模式。
Biophys J. 1962 Mar;2(2 Pt 2):259-323. doi: 10.1016/s0006-3495(62)86959-8.
3
The nature of ion and water barrier crossings in a simulated ion channel.模拟离子通道中离子与水屏障穿越的性质
Biophys J. 1993 Jan;64(1):98-109. doi: 10.1016/S0006-3495(93)81344-4.
4
Bis-quaternary ammonium blockers as structural probes of the sarcoplasmic reticulum K+ channel.双季铵盐阻滞剂作为肌浆网钾通道的结构探针
J Gen Physiol. 1982 May;79(5):869-91. doi: 10.1085/jgp.79.5.869.
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
Ion movements in gramicidin pores. An example of single-file transport.短杆菌肽通道中的离子运动。单通道转运的一个例子。
Biochim Biophys Acta. 1980 Nov 4;602(2):331-54. doi: 10.1016/0005-2736(80)90316-8.
7
How electrolyte shielding influences the electrical potential in transmembrane ion channels.电解质屏蔽如何影响跨膜离子通道中的电势。
Biophys J. 1989 Jun;55(6):1041-52. doi: 10.1016/S0006-3495(89)82903-0.
8
Stochastic theory of ion movement in channels with single-ion occupancy. Application to sodium permeation of gramicidin channels.单离子占据通道中离子运动的随机理论。应用于短杆菌肽通道的钠渗透。
Biophys J. 1987 Jul;52(1):33-45. doi: 10.1016/S0006-3495(87)83186-7.
9
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.
10
Interpretation of biological ion channel flux data--reaction-rate versus continuum theory.生物离子通道通量数据的解释——反应速率与连续介质理论
Annu Rev Biophys Biophys Chem. 1986;15:29-57. doi: 10.1146/annurev.bb.15.060186.000333.
Zotero 插件