ArticleProceedings of the National Academy of Sciences of the United States of America2012
Exploring conformational states of the bacterial voltage-gated sodium channel NavAb via molecular dynamics simulations.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 33 papers.
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33 citing papers in PubMed, 58 citations in OpenAlex.
- Voltage sensors of a NaNature communications · 2023Article
- Domain- and state-specific shape of the electric field tunes voltage sensing in voltage-gated sodium channels.Biophysical journal · 2023Article
- Determinants of conductance of a bacterial voltage-gated sodium channel.Biophysical journal · 2021Article
- Protein Conformational States-A First Principles Bayesian Method.Entropy (Basel, Switzerland) · 2020Article
- Pulsed Electric Fields Can Create Pores in the Voltage Sensors of Voltage-Gated Ion Channels.Biophysical journal · 2020Article
- Helix breaking transition in the S4 of HCN channel is critical for hyperpolarization-dependent gating.eLife · 2019Article
- Conduction through a narrow inward-rectifier KThe Journal of general physiology · 2019Article
- Characterization of Lipid-Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular Simulation.Chemical reviews · 2019Review
- Role of the Interaction Motif in Maintaining the Open Gate of an Open Sodium Channel.Biophysical journal · 2018Article
- Molecular Dynamics of Ion Conduction through the Selectivity Filter of the NaThe journal of physical chemistry. B · 2018Article
- A New Cardiac Channelopathy: From Clinical Phenotypes to Molecular Mechanisms Associated With NaFrontiers in cardiovascular medicine · 2018Review
- N1366S mutation of human skeletal muscle sodium channel causes paramyotonia congenita.The Journal of physiology · 2017Article
- Small molecule modulation of voltage gated sodium channels.Current opinion in structural biology · 2017Review
- Fluorine-19 NMR and computational quantification of isoflurane binding to the voltage-gated sodium channel NaChBac.Proceedings of the National Academy of Sciences of the United States of America · 2016Article
- Nav1.7-A1632G Mutation from a Family with Inherited Erythromelalgia: Enhanced Firing of Dorsal Root Ganglia Neurons Evoked by Thermal Stimuli.The Journal of neuroscience : the official journal of the Society for Neuroscience · 2016Article
- Molecular basis of ion permeability in a voltage-gated sodium channel.The EMBO journal · 2016Article
- Understanding Sodium Channel Function and Modulation Using Atomistic Simulations of Bacterial Channel Structures.Current topics in membranes · 2016Article
- Characterization of the honeybee AmNaV1 channel and tools to assess the toxicity of insecticides.Scientific reports · 2015Article
- Theoretical and simulation studies on voltage-gated sodium channels.Protein & cell · 2015Review
- Gating pore currents are defects in common with two Nav1.5 mutations in patients with mixed arrhythmias and dilated cardiomyopathy.The Journal of general physiology · 2015Article
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4 authors at 2 institutions in 2 countries.
Funding
Abstract
The X-ray structure of the bacterial voltage-gated sodium channel NavAb has been reported in a conformation with a closed conduction pore. Comparison between this structure and the activated-open and resting-closed structures of the voltage-gated Kv1.2 potassium channel suggests that the voltage-sensor domains (VSDs) of the reported structure are not fully activated. Using the aforementioned structures of Kv1.2 as templates, molecular dynamics simulations are used to identify analogous functional conformations of NavAb. Specifically, starting from the NavAb crystal structure, conformations of the membrane-bound channel are sampled along likely pathways for activation of the VSD and opening of the pore domain. Gating charge computations suggest that a structural rearrangement comparable to that occurring between activated-open and resting-closed states is required to explain experimental values of the gating charge, thereby confirming that the reported VSD structure is likely an intermediate along the channel activation pathway. Our observation that the X-ray structure exhibits a low pore domain-opening propensity further supports this notion. The present molecular dynamics study also identifies conformations of NavAb that are seemingly related to the resting-closed and activated-open states. Our findings are consistent with recent structural and functional studies of the orthologous channels NavRh, NaChBac, and NavMs and offer possible structures for the functionally relevant conformations of NavAb.
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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.