Спрощена модель селективного фільтру калієвого іонного каналу, що базується на структурних даних

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Єсилевський, С.
Харк'янен, В.
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Recent x-ray structures of bacterial Kcsa K+ channel revolutionized the ion channel science. A widely used theoretical model, based on the conception of discrete binding sites in the channel, appears to be inconsistent with the structural data. We developed a model of multiply occupied Kcsa-like selectivity filter based on the best available data. The model explicitly considers ion-ion interactions. Parameters of the ion-ion interactions, such as shielding constant, are determined. The model correctly describes barrierless knock-on conduction in the filter and allows to study the influence of the large-scale filter motions on its properties. It is shown that the concerted motion of multiple ions in the filter may be described as a motion of single "quasi-ion " in the effective energy profile which is easily calculated numerically.
вивчення іонних каналів, модель селективного фільтру, калієвий іонний канал, структурні дані
Yesylevskyi S. O., Kharkyanen V. M. Simplified structure-based model of the potassium channel selectivity filter / S. O. Yesylevskyi, V. M Kharkyanen // Наукові записки НаУКМА. - 2002. - Т. 20: Фізико-математичні науки. - С. 47-53.