K+/Na+ selectivity of KcsA potassium channel analyzed by reference interaction site model (RISM) integral equation theory

被引：4
|
作者：
Cui, QZ [1 ]
Smith, VH [1 ]
机构：
[1] Queens Univ, Dept Chem, Kingston, ON K7L 3N6, Canada
来源：
CHEMICAL PHYSICS LETTERS | 2002年 / 365卷 / 1-2期
基金：
加拿大自然科学与工程研究理事会;
关键词：
D O I：
10.1016/S0009-2614(02)01426-4
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We have analyzed K+/Na+ selectivity of the KcsA potassium channel from the point of view of solvation structure and solvation energetics at the atomic level by using the reference interaction site model (RISM) integral equation theory. Our results indicate that K+ is better dehydrated and has lower binding free energy in the four-site selectivity filter of the KcsA potassium channel than Na+. Thus the selectivity filter favors K+ over Na+ to enter and pass through the channel. A good agreement between our energetic results and those from simulation has been obtained. (C) 2002 Elsevier Science B.V. All rights reserved.
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页码：110 / 116
页数：7
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