ArticleBiophysical journal2009
Single-channel current through nicotinic receptor produced by closure of binding site C-loop.
Article in Biophysical journal, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed.
- Thermodynamics and Kinetics of Ion Permeation in Wild-Type and Mutated Open Active Conformation of the Human α7 Nicotinic Receptor.Journal of chemical information and modeling · 2020Article
- Mutations causing congenital myasthenia reveal principal coupling pathway in the acetylcholine receptor ε-subunit.JCI insight · 2018Article
- Cyclic activation of endplate acetylcholine receptors.Proceedings of the National Academy of Sciences of the United States of America · 2017Article
- Article
- Pentameric Ligand-gated Ion Channels : Insights from Computation.Molecular simulation · 2014Article
- Intra-subunit flexibility underlies activation and allosteric modulation of neuronal nicotinic acetylcholine receptors.Neuropharmacology · 2014Article
- Conformational changes in acetylcholine binding protein investigated by temperature accelerated molecular dynamics.PloS one · 2014Article
- Nicotinic acetylcholine receptor and the structural basis of neuromuscular transmission: insights from Torpedo postsynaptic membranes.Quarterly reviews of biophysics · 2013Review
- Nicotinic receptor transduction zone: invariant arginine couples to multiple electron-rich residues.Biophysical journal · 2013Article
- New horizons for congenital myasthenic syndromes.Annals of the New York Academy of Sciences · 2012Review
- Gating movement of acetylcholine receptor caught by plunge-freezing.Journal of molecular biology · 2012Article
- End-plate acetylcholine receptor: structure, mechanism, pharmacology, and disease.Physiological reviews · 2012Review
- Myasthenic syndrome AChRα C-loop mutant disrupts initiation of channel gating.The Journal of clinical investigation · 2012Article
- Multi-Scale Continuum Modeling of Biological Processes: From Molecular Electro-Diffusion to Sub-Cellular Signaling Transduction.Computational science & discovery · 2012Article
- Intramembrane proton binding site linked to activation of bacterial pentameric ion channel.The Journal of biological chemistry · 2012Article
- Creating an α7 nicotinic acetylcholine recognition domain from the acetylcholine-binding protein: crystallographic and ligand selectivity analyses.The Journal of biological chemistry · 2011Article
- Additional acetylcholine (ACh) binding site at alpha4/alpha4 interface of (alpha4beta2)2alpha4 nicotinic receptor influences agonist sensitivity.The Journal of biological chemistry · 2011Article
- Molecular dynamics and brownian dynamics investigation of ion permeation and anesthetic halothane effects on a proton-gated ion channel.Journal of the American Chemical Society · 2010Article
- Linking the acetylcholine receptor-channel agonist-binding sites with the gate.Biophysical journal · 2010Article
- Structural basis of activation of cys-loop receptors: the extracellular-transmembrane interface as a coupling region.Molecular neurobiology · 2009Review
Corrections and comments
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Authors and funding
7 authors.
Funding
Abstract
We investigated the initial coupling of agonist binding to channel gating of the nicotinic acetylcholine receptor using targeted molecular-dynamics (TMD) simulation. After TMD simulation to accelerate closure of the C-loops at the agonist binding sites, the region of the pore that passes through the cell membrane expands. To determine whether the structural changes in the pore result in ion conduction, we used a coarse-grained ion conduction simulator, Biology Boltzmann transport Monte Carlo, and applied it to two structural frames taken before and after TMD simulation. The structural model before TMD simulation represents the channel in the proposed "resting" state, whereas the model after TMD simulation represents the channel in the proposed "active" state. Under external voltage biases, the channel in the "active" state was permeable to cations. Our simulated ion conductance approaches that obtained experimentally and recapitulates several functional properties characteristic of the nicotinic acetylcholine receptor. Thus, closure of the C-loop triggers a structural change in the channel sufficient to account for the open channel current. This approach of applying Biology Boltzmann transport Monte Carlo simulation can be used to further investigate the binding to gating transduction mechanism and the structural bases for ion selection and translocation.
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