Atypical mechanism of conduction in potassium channels

被引:90
作者
Furini, Simone [1 ,2 ]
Domene, Carmen [1 ]
机构
[1] Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England
[2] Univ Bologna, Dept Elect Comp Sci & Syst, I-40136 Bologna, Italy
基金
英国工程与自然科学研究理事会;
关键词
ion translocation; molecular dynamics simulations; potential of mean force; K+ channels; umbrella sampling; FREE-ENERGY CALCULATIONS; K+ SELECTIVITY FILTER; MOLECULAR-DYNAMICS; ION CHANNELS; POTENTIAL FUNCTIONS; WATER; CONFORMATION; PERMEATION; FLUXES;
D O I
10.1073/pnas.0903226106
中图分类号
O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];
学科分类号
07 ; 0710 ; 09 ;
摘要
Potassium channels can conduct passively K+ ions with rates of up to approximate to 10(8) ions per second at physiological conditions, and they are selective to these species by a factor of 10(4) over Na+ ions. Ion conduction has been proposed to involve transitions between 2 main states, with 2 or 3 K+ ions occupying the selectivity filter separated by an intervening water molecule. The largest free energy barrier of such a process was reported to be of the order of 2-3 kcal mol(-1). Here, we present an alternative mechanism for conduction of K+ in potassium channels where site vacancies are involved, and we propose that coexistence of several ion permeation mechanisms is energetically possible. Conduction can be described as a more anarchic phenomenon than previously characterized by the concerted translocations of K+-water-K+.
引用
收藏
页码:16074 / 16077
页数:4
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