{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["7(11)"],"submitter":["Ceccarini L"],"pubmed_abstract":["The inward rectifier voltage-gated potassium channel hERG is of primary importance for the regulation of the membrane potential of cardiomyocytes. Unlike most voltage-gated K(+)-channels, hERG shows a low elementary conductance at physiological voltage and potassium concentration. To investigate the molecular features underlying this unusual behavior, we simulated the ion conduction through the selectivity filter at a fully atomistic level by means of molecular dynamics-based methods, using a homology-derived model. According to our calculations, permeation of potassium ions can occur along two pathways, one involving site vacancies inside the filter (showing an energy barrier of about 6 kcal mol(-1)), and the other characterized by the presence of a knock-on intermediate (about 8 kcal mol(-1)). These barriers are indeed in accordance with a low conductance behavior, and can be explained in terms of a series of distinctive structural features displayed by the hERG ion permeation pathway."],"journal":["PloS one"],"pagination":["e49017"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3487835"],"repository":["biostudies-literature"],"pubmed_title":["Ion conduction through the hERG potassium channel."],"pmcid":["PMC3487835"],"pubmed_authors":["Recanatini M","Ceccarini L","Cavalli A","Masetti M"],"additional_accession":[]},"is_claimable":false,"name":"Ion conduction through the hERG potassium channel.","description":"The inward rectifier voltage-gated potassium channel hERG is of primary importance for the regulation of the membrane potential of cardiomyocytes. Unlike most voltage-gated K(+)-channels, hERG shows a low elementary conductance at physiological voltage and potassium concentration. To investigate the molecular features underlying this unusual behavior, we simulated the ion conduction through the selectivity filter at a fully atomistic level by means of molecular dynamics-based methods, using a homology-derived model. According to our calculations, permeation of potassium ions can occur along two pathways, one involving site vacancies inside the filter (showing an energy barrier of about 6 kcal mol(-1)), and the other characterized by the presence of a knock-on intermediate (about 8 kcal mol(-1)). These barriers are indeed in accordance with a low conductance behavior, and can be explained in terms of a series of distinctive structural features displayed by the hERG ion permeation pathway.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012","modification":"2021-02-20T16:00:28Z","creation":"2019-03-26T23:19:07Z"},"accession":"S-EPMC3487835","cross_references":{"pubmed":["23133669"],"doi":["10.1371/journal.pone.0049017"]}}