ArticleJournal of the American Chemical Society2014
Quantitative analysis of the water occupancy around the selectivity filter of a K+ channel in different gating modes.
Article in Journal of the American Chemical Society, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 42 papers.
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Who cites it
42 citing papers in PubMed, 73 citations in OpenAlex.
- Lipid gating of BK channels and activation mechanism by negatively charged lipids.Communications chemistry · 2026Article
- From Selective Permeation to Physiology in Potassium Channels.Function (Oxford, England) · 2025Review
- High-Resolution Magic Angle Spinning NMR of KcsA in Liposomes: The Highly Mobile C-Terminus.Biomolecules · 2022Article
- From Angstroms to Nanometers: Measuring Interatomic Distances by Solid-State NMR.Chemical reviews · 2022Review
- Review
- A distinct mechanism of C-type inactivation in the Kv-like KcsA mutant E71V.Nature communications · 2022Article
- Computational study of non-conductive selectivity filter conformations and C-type inactivation in a voltage-dependent potassium channel.The Journal of general physiology · 2021Article
- Mechanism of C-type inactivation in the hERG potassium channel.Science advances · 2021Article
- Conformational equilibrium shift underlies altered KNature communications · 2020Article
- The Lipid Activation Mechanism of a Transmembrane Potassium Channel.Journal of the American Chemical Society · 2020Article
- Functional stability of water wire-carbonyl interactions in an ion channel.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
- High-sensitivity protein solid-state NMR spectroscopy.Current opinion in structural biology · 2019Review
- Towards the Native Binding Modes of Antibiotics that Target Lipid II.Chembiochem : a European journal of chemical biology · 2019Review
- The conduction pathway of potassium channels is water free under physiological conditions.Science advances · 2019Article
- Deriving Force-Field Parameters from First Principles Using a Polarizable and Higher Order Dispersion Model.Journal of chemical theory and computation · 2019Article
- Shifts in the selectivity filter dynamics cause modal gating in KNature communications · 2019Article
- A QM/MM Derived Polarizable Water Model for Molecular Simulation.Molecules (Basel, Switzerland) · 2018Article
- Opening leads to closing: Allosteric crosstalk between the activation and inactivation gates in KcsA.The Journal of general physiology · 2018Article
- Rapid constriction of the selectivity filter underlies C-type inactivation in the KcsA potassium channel.The Journal of general physiology · 2018Article
- Application of paramagnetic relaxation enhancements to accelerate the acquisition of 2D and 3D solid-state NMR spectra of oriented membrane proteins.Methods (San Diego, Calif.) · 2018Article
Corrections and comments
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Authors and funding
6 authors at 2 institutions in 2 countries.
Funding
Abstract
Recovery in K(+) channels, that is, the transition from the inactivated nonconductive selectivity filter conformation toward the conductive conformation, occurs on a time scale of the order of seconds, which is astonishingly long, given that the structural differences among the filter conformations are faint (<1 Å). Computational studies and electrophysiological measurements suggested that buried water molecules bound behind the selectivity filter are at the origin of the slowness of recovery in K(+) channels. Using a combination of solid-state NMR spectroscopy (ssNMR) and long molecular dynamics simulations, we sketch a high-resolution map of the spatial and temporal distribution of water behind the selectivity filter of a membrane-embedded K(+) channel in two different gating modes. Our study demonstrates that buried water molecules with long residence times are spread all along the rear of the inactivated filter, which explains the recovery kinetics. In contrast, the same region of the structure appears to be dewetted when the selectivity filter is in the conductive state. Using proton-detected ssNMR on fully protonated channels, we demonstrate the presence of a pathway that allows for the interchange of buried and bulk water, as required for a functional influence of buried water on recovery and slow inactivation. Furthermore, we provide direct experimental evidence for the presence of additional ordered water molecules that surround the filter and that are modulated by the channel's gating mode.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.