| 在Gramicidin膜通道中碱金属离子与多肽基团之间的相互作用 |
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| 引用本文： | 任新刚,曹维良,郭洪猷,王作新.在Gramicidin膜通道中碱金属离子与多肽基团之间的相互作用[J].北京化工大学学报(自然科学版),1993(3). |
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| 作者姓名： | 任新刚 曹维良 郭洪猷 王作新 |
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| 作者单位： | 北京化工学院应用化学系，北京化工学院应用化学系，北京化工学院应用化学系，北京化工学院应用化学系 |
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| 摘 要： | 以Grimicidin A做为生物膜金属离子通道模型,在给定的通道结构参数条件下,用量子化学ASED-MO法研究了K~+,Na~+离子在通道内沿中心轴移动时,能量剖面,金属离子与肽骨架上各原子的相互作用规律。发现(1)Na~+离子在通道中总能量的下降较K~+离子情况的低,但受到周围的排斥作用较前者大;(2)金属离子与通道上原子的排斥能在中间区域表现为小波动变化,与前人结论是一致的。着重分析骨架原子的净电荷分布及其受金属离子的影响,讨论了金属离子与骨架原子排斥能周期性变化的原因。
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| 关 键 词： | GrimicidinA 离子通透性 ASED-MO法 |
A Study on the Interaction Between Alkali Metal Ions and Groups of Polypeptides in the Gramicidin A Channell |
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| Ren Xingang Cao Weilliang Guo Hongyou Wang Zuoxin.A Study on the Interaction Between Alkali Metal Ions and Groups of Polypeptides in the Gramicidin A Channell[J].Journal of Beijing University of Chemical Technology,1993(3). |
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| Authors: | Ren Xingang Cao Weilliang Guo Hongyou Wang Zuoxin |
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| Institution: | Department of Applied Chemistry |
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| Abstract: | Gramicidin-A with fixed structural parameters was employed as the biological channel mode for alkali metal ions, the energy profiles and the behavior of the interaction be tween alkali metal ions and various atoms on the skeletone of peptide were obtained by using the quantum chemical procedure ASED-MO method. The general observations are (1) For Na~+ion, in the channel, lowering of the tolal energy is more significant than that of K~+ion, but the repulsion energy is reverse. (2) The repulsion energy between metal ions and atoms and at oms on polypeptide skeletone slightly waves in the middle area of the channel, which is in agreement with the previous report. The net atomic charge distribution and its in fluences of metal ions in the skeletone of the channel were analyzed, the reasons of periodic change of re pulsion energy between metal ions and skeletone atoms were also discussed. |
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| Keywords: | gramecidin A ion permeability ASED-MO merhod |
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