ArticleBiophysical journal1999
Molecular dynamics study of the KcsA potassium channel.
Article in Biophysical journal, 1999. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 47 papers.
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Who cites it
47 citing papers in PubMed, 168 citations in OpenAlex.
- Do selectivity filter carbonyls in KJournal of structural biology: X · 2024Article
- Mimicking classical noise in ion channels by quantum decoherence.Scientific reports · 2024Article
- Probing Ion Configurations in the KcsA Selectivity Filter with Single-Isotope Labels and 2D IR Spectroscopy.Journal of the American Chemical Society · 2023Article
- Computational study of ion permeation through claudin-4 paracellular channels.Annals of the New York Academy of Sciences · 2022Article
- What have molecular simulations contributed to understanding of Gram-negative bacterial cell envelopes?Microbiology (Reading, England) · 2022Review
- P-Loop Channels: Experimental Structures, and Physics-Based and Neural Networks-Based Models.Membranes · 2022Review
- Modulation of Function, Structure and Clustering of KInternational journal of molecular sciences · 2020Review
- Exopolysaccharides from Marine and Marine Extremophilic Bacteria: Structures, Properties, Ecological Roles and Applications.Marine drugs · 2018Review
- A Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics.Biophysical journal · 2017Article
- Equilibrium fluctuation relations for voltage coupling in membrane proteins.Biochimica et biophysica acta · 2015Article
- Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels.Proceedings of the National Academy of Sciences of the United States of America · 2015Article
- Visualizing KcsA conformational changes upon ion binding by infrared spectroscopy and atomistic modeling.The journal of physical chemistry. B · 2015Article
- Modeling ion channels: past, present, and future.The Journal of general physiology · 2014Review
- Pore dynamics and conductance of RyR1 transmembrane domain.Biophysical journal · 2014Article
- Permeation redux: thermodynamics and kinetics of ion movement through potassium channels.Biophysical journal · 2014Review
- Multi-ion versus single-ion conduction mechanisms can yield current rectification in biological ion channels.Journal of biological physics · 2014Article
- Molecular dynamics simulations of membrane proteins.Biophysical reviews · 2012Review
- Multiple Scales in the Simulation of Ion Channels and Proteins.The journal of physical chemistry. C, Nanomaterials and interfaces · 2010Article
- Article
- Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins.Chemical reviews · 2010Review
Corrections and comments
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The structural, dynamical, and thermodynamic properties of a model potassium channel are studied using molecular dynamics simulations. We use the recently unveiled protein structure for the KcsA potassium channel from Streptomyces lividans. Total and free energy profiles of potassium and sodium ions reveal a considerable preference for the larger potassium ions. The selectivity of the channel arises from its ability to completely solvate the potassium ions, but not the smaller sodium ions. Self-diffusion of water within the narrow selectivity filter is found to be reduced by an order of magnitude from bulk levels, whereas the wider hydrophobic section of the pore maintains near-bulk self-diffusion. Simulations examining multiple ion configurations suggest a two-ion channel. Ion diffusion is found to be reduced to approximately 1/3 of bulk diffusion within the selectivity filter. The reduced ion mobility does not hinder the passage of ions, as permeation appears to be driven by Coulomb repulsion within this multiple ion channel.
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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.