On the Classical Vibrational Coherence of Carbonyl Groups in the Selectivity Filter Backbone of KcsA Ion Channel

TL;DR

This study investigates whether classical vibrational coherence among carbonyl groups in the KcsA ion channel's selectivity filter influences ion conduction, concluding that classical coherence does not significantly contribute to the process.

Contribution

It provides a detailed analysis of classical vibrational coherence in the KcsA channel, clarifying its limited role in ion conduction.

Findings

Classical coherence is not effective in fast ionic conduction.

Quantum coherence may be more relevant for ion selectivity.

Molecular dynamics simulations support the limited role of classical vibrations.

Abstract

It has been suggested that quantum coherence in the selectivity filter of ion channel may play a key role in fast conduction and selectivity of ions. However, it has not been clearly elucidated yet why classical coherence is not sufficient for this purpose. In this paper, we investigate the classical vibrational coherence between carbonyl groups oscillations in the selectivity filter of KcsA ion channels based on the data obtained from molecular dynamics simulations. Our results show that classical coherence plays no effective role in fast ionic conduction.