2021
DOI: 10.1016/j.jmb.2021.167002
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The Persistent Question of Potassium Channel Permeation Mechanisms

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Cited by 67 publications
(64 citation statements)
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“…In a previous study (Rauh et al, 2018), it has been shown that the "soft knockon" model of ion transport in the selectivity filter (Figure 3A) as developed from MD simulations (Roux, 2005) is adequate for describing ion hopping in the open Kcv NTS channel. In contrast, the alternative "direct knock-on" model (Köpfer et al, 2014;Mironenko et al, 2021) was unable to describe the experimental data of Kcv NTS for the K + concentrations and membrane voltages used in the previous (Rauh et al, 2018) and present study, and is thus not further considered here. This does not imply that the direct knock-on model does not apply to ion channels especially as crystallographic support for a hard knock-on model has been provided (Langan et al, 2018) by anomalous X-ray diffraction studies of ion transport in K + channels.…”
Section: Correlating Voltage Dependence Of the Rate Constant Of Blocker Dissociation With Ion Occupation Probability In S4mentioning
confidence: 77%
“…In a previous study (Rauh et al, 2018), it has been shown that the "soft knockon" model of ion transport in the selectivity filter (Figure 3A) as developed from MD simulations (Roux, 2005) is adequate for describing ion hopping in the open Kcv NTS channel. In contrast, the alternative "direct knock-on" model (Köpfer et al, 2014;Mironenko et al, 2021) was unable to describe the experimental data of Kcv NTS for the K + concentrations and membrane voltages used in the previous (Rauh et al, 2018) and present study, and is thus not further considered here. This does not imply that the direct knock-on model does not apply to ion channels especially as crystallographic support for a hard knock-on model has been provided (Langan et al, 2018) by anomalous X-ray diffraction studies of ion transport in K + channels.…”
Section: Correlating Voltage Dependence Of the Rate Constant Of Blocker Dissociation With Ion Occupation Probability In S4mentioning
confidence: 77%
“…The corresponding parameters for the ligands were derived from geometry-optimized structures using the suite of programs in Gaussian16 [42] and the PARAMCHEM CGENFF [43,44] website. Three potassium ions were manually placed in the selectivity filter of the channel at the S0, S2, and S4 binding sites of selectivity filter with two water molecules in between, as published previously [45]. The ligandprotein complex was embedded in a 140 × 140 Å phosphatidylcholine (POPC) lipid bilayer, and solvated with transferable intermolecular potential 3P (TIP3P) water molecules, and the system was neutralized by setting the 0.15 M KCl solution with Charmm-GUI.…”
Section: Molecular Dynamics Preparation and Simulationmentioning
confidence: 99%
“…Potassium channels are oligomeric proteins that provide an energetically favorable environment for a rapid and highly selective K + conduction across the plasma membrane down its electrochemical gradient [ 1 ]. The pore-forming domain is highly conserved and responsible for the permeability and selectivity properties of these proteins [ 2 ]. Upon gating, the channels become non-conductive to K + ions through a time-dependent inactivation process, which provides a tight control over the cellular excitability and function [ 3 , 4 , 5 ].…”
Section: Introductionmentioning
confidence: 99%
“…The conduction pathway is delimited by the continuum of an aqueous cavity and the selectivity filter (SF) with the highly conserved signature sequence TVGYG [ 7 ]. The ability of this later domain to adopt several non-conductive and conductive conformations defines it as the second gate (extracellular outer or inactivation gate) [ 2 , 10 , 11 ].…”
Section: Introductionmentioning
confidence: 99%
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