ArticleBiophysical journal2004
Mechanism of anionic conduction across ClC.
Article in Biophysical journal, 2004. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 papers.
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Who cites it
28 citing papers in PubMed, 89 citations in OpenAlex.
- Dynamical model of the CLC-2 ion channel reveals conformational changes associated with selectivity-filter gating.PLoS computational biology · 2020Article
- Chloride Ion Transport by theFrontiers in chemistry · 2018Article
- Two Cl Ions and a Glu Compete for a Helix Cage in the CLC Proton/ClBiophysical journal · 2017Article
- Molecular Basis for Differential Anion Binding and Proton Coupling in the Cl(-)/H(+) Exchanger ClC-ec1.Journal of the American Chemical Society · 2016Article
- Revealing an outward-facing open conformational state in a CLC Cl(-)/H(+) exchange transporter.eLife · 2016Article
- Molecular dynamics study of Na⁺ transportation in a cyclic peptide nanotube and its influences on water behaviors in the tube.Journal of molecular modeling · 2013Article
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Influences of mutations on the electrostatic binding free energies of chloride ions in Escherichia coli ClC.The journal of physical chemistry. B · 2012Article
- Molecular dynamics investigation of Cl- and water transport through a eukaryotic CLC transporter.Biophysical journal · 2012Article
- The coupled proton transport in the ClC-ec1 Cl(-)/H(+) antiporter.Biophysical journal · 2011Article
- CLC channels and transporters: proteins with borderline personalities.Biochimica et biophysica acta · 2010Review
- A three-state multi-ion kinetic model for conduction properties of ClC-0 chloride channel.Biophysical journal · 2010Article
- Secondary water pore formation for proton transport in a ClC exchanger revealed by an atomistic molecular-dynamics simulation.Biophysical journal · 2010Article
- Structural fragment clustering reveals novel structural and functional motifs in alpha-helical transmembrane proteins.BMC bioinformatics · 2010Article
- Proton transport pathway in the ClC Cl-/H+ antiporter.Biophysical journal · 2009Article
- Statistical determinants of selective ionic complexation: ions in solvent, transport proteins, and other "hosts".Biophysical journal · 2009Article
- The mechanism of fast-gate opening in ClC-0.The Journal of general physiology · 2007Article
- The role of a conserved lysine in chloride- and voltage-dependent ClC-0 fast gating.The Journal of general physiology · 2007Article
- Sugar transport across lactose permease probed by steered molecular dynamics.Biophysical journal · 2007Article
- Imaging the migration pathways for O2, CO, NO, and Xe inside myoglobin.Biophysical journal · 2006Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
Abstract
ClC chloride channels are voltage-gated transmembrane proteins that have been associated with a wide range of regulatory roles in vertebrates. To accomplish their function, they allow small inorganic anions to efficiently pass through, while blocking the passage of all other particles. Understanding the conduction mechanism of ClC has been the subject of many experimental investigations, but until now, the detailed dynamic mechanism was not known despite the availability of crystallographic structures. We investigate Cl(-) conduction by means of an all-atom molecular dynamics simulation of the ClC channel in a membrane environment. Based on our simulation results, we propose a king-of-the-hill mechanism for permeation, in which a lone ion bound to the center of the ClC pore is pushed out by a second ion that enters the pore and takes its place. Although the energy required to extract the single central ion from the pore is enormous, by resorting to this two-ion process, the largest free energy barrier for conduction is reduced to 4 kcal/mol. At the narrowest part of the pore, residues Tyr-445 and Ser-107 stabilize the central ion. There, the bound ion blocks the pore, disrupting the formation of a continuous water file that could leak protons, possibly preventing the passage of uncharged solutes.
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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.