ArticleScientific reports2017
Markov modeling reveals novel intracellular modulation of the human TREK-2 selectivity filter.
Article in Scientific reports, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- An Expanded Markov State Model-Transition Path Theory Framework for Ion Conduction Reactive Pathways through Membrane Channels.The journal of physical chemistry letters · 2026Article
- Ion Channel Reaction Networks: Dielectric Screening and the Importance of Off-Pathway Flux.Journal of chemical theory and computation · 2025Article
- Building predictive Markov models of ion channel permeation from molecular dynamics simulations.Biophysical journal · 2024Article
- Atomistic mechanism of coupling between cytosolic sensor domain and selectivity filter in TREK K2P channels.Nature communications · 2024Article
- Ion Conduction Mechanisms in Potassium Channels Revealed by Permeation Cycles.Journal of chemical theory and computation · 2023Article
- 'C-type' closed state and gating mechanisms of K2P channels revealed by conformational changes of the TREK-1 channel.Journal of molecular cell biology · 2022Article
- Unsupervised Learning Methods for Molecular Simulation Data.Chemical reviews · 2021Article
- Negative Influence by the Force: Mechanically Induced Hyperpolarization via KInternational journal of molecular sciences · 2021Review
- Structural Insights into the Mechanisms and Pharmacology of KJournal of molecular biology · 2021Review
- Conduction and Gating Properties of the TRAAK Channel from Molecular Dynamics Simulations with Different Force Fields.Journal of chemical information and modeling · 2020Article
- KScience advances · 2020Article
- Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.Journal of chemical theory and computation · 2018Article
- Mechanism of Mechanosensitive Gating of the TREK-2 Potassium Channel.Biophysical journal · 2018Article
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5 authors.
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Abstract
Two-pore domain potassium (K2P) channel ion conductance is regulated by diverse stimuli that directly or indirectly gate the channel selectivity filter (SF). Recent crystal structures for the TREK-2 member of the K2P family reveal distinct "up" and "down" states assumed during activation via mechanical stretch. We performed 195 μs of all-atom, unbiased molecular dynamics simulations of the TREK-2 channel to probe how membrane stretch regulates the SF gate. Markov modeling reveals a novel "pinched" SF configuration that stretch activation rapidly destabilizes. Free-energy barrier heights calculated for critical steps in the conduction pathway indicate that this pinched state impairs ion conduction. Our simulations predict that this low-conductance state is accessed exclusively in the compressed, "down" conformation in which the intracellular helix arrangement allosterically pinches the SF. By explicitly relating structure to function, we contribute a critical piece of understanding to the evolving K2P puzzle.
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