Application of a statistical and linear response theory to multi-ion Na+ conduction in NaChBac

Gibby, William and Fedorenko, Olena and Guardiani, Carlo and Barabash, Miraslau and Mumby, Thomas and Roberts, Stephen and Luchinsky, Dmitry and McClintock, Peter V. E. (2021) Application of a statistical and linear response theory to multi-ion Na+ conduction in NaChBac. Entropy, 23 (2): 249. ISSN 1099-4300

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Abstract

Biological ion channels are fundamental to maintaining life. In this manuscript we apply our recently developed statistical and linear response theory to investigate Na+ conduction through the prokaryotic Na+ channel NaChBac. This work is extended theoretically by the derivation of ionic conductivity and current in an electrochemical gradient, thus enabling us to compare to a range of whole-cell data sets performed on this channel. Furthermore, we also compare the magnitudes of the currents and populations at each binding site to previously published single-channel recordings and molecular dynamics simulations respectively. In doing so, we find excellent agreement between theory and data, with predicted energy barriers at each of the four binding sites of ∼4,2.9,3.6, and 4kT.