ArticleBiophysical journal2007
Probing the outer mouth structure of the HERG channel with peptide toxin footprinting and molecular modeling.
Article in Biophysical journal, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers.
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Who cites it
26 citing papers in PubMed.
- Non-canonical helical transitions and conformational switching are associated with characteristic flexibility and disorder indices in TRP and Kv channels.Channels (Austin, Tex.) · 2023Article
- Heptapeptide Isolated fromMarine drugs · 2021Article
- Colombian ScorpionToxins · 2021Article
- Peptide Toxins Targeting KV Channels.Handbook of experimental pharmacology · 2021Review
- The macrolide drug erythromycin does not protect the hERG channel from inhibition by thioridazine and terfenadine.Physiological reports · 2020Article
- Diverse Structural Features of Potassium Channels Characterized by Scorpion Toxins as Molecular Probes.Molecules (Basel, Switzerland) · 2019Review
- Fluorescent analogues of BeKm-1 with high and specific activity against the hERG channel.Toxicon: X · 2019Article
- Comparative study of the structure and interaction of the pore helices of the hERG and Kv1.5 potassium channels in model membranes.European biophysics journal : EBJ · 2017Article
- The Human Ether-a-go-go-related Gene (hERG) Potassium Channel Represents an Unusual Target for Protease-mediated Damage.The Journal of biological chemistry · 2016Article
- Molecular Simulations of Solved Co-crystallized X-Ray Structures Identify Action Mechanisms of PDEδ Inhibitors.Biophysical journal · 2015Article
- Open conformation of hERG channel turrets revealed by a specific scorpion toxin BmKKx2.Cell & bioscience · 2014Article
- Characterization of the algC gene expression pattern in the multidrug resistant Acinetobacter baumannii AIIMS 7 and correlation with biofilm development on abiotic surface.TheScientificWorldJournal · 2014Article
- Hydrophobic interactions between the voltage sensor and pore mediate inactivation in Kv11.1 channels.The Journal of general physiology · 2013Article
- Homology modeling, molecular docking and DNA binding studies of nucleotide excision repair UvrC protein from M. tuberculosis.The protein journal · 2013Article
- Molecular dynamics simulation and molecular docking studies of Angiotensin converting enzyme with inhibitor lisinopril and amyloid Beta Peptide.The protein journal · 2013Article
- Two conserved arginine residues from the SK3 potassium channel outer vestibule control selectivity of recognition by scorpion toxins.The Journal of biological chemistry · 2013Article
- Insights into hERG K+ channel structure and function from NMR studies.European biophysics journal : EBJ · 2013Review
- Identification and characterization of a compound that protects cardiac tissue from human Ether-à-go-go-related gene (hERG)-related drug-induced arrhythmias.The Journal of biological chemistry · 2012Article
- Ion conduction through the hERG potassium channel.PloS one · 2012Article
- Potassium Channels Blockers from the Venom of Androctonus mauretanicus mauretanicus.Journal of toxicology · 2012Article
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Authors and funding
7 authors.
Funding
Abstract
Previous studies have shown that the unusually long S5-P linker lining human ether a-go-go related gene's (hERG's) outer vestibule is critical for its channel function: point mutations at high-impact positions here can interfere with the inactivation process and, in many cases, also reduce the pore's K+ selectivity. Because no data are available on the equivalent region in the available K channel crystal structures to allow for homology modeling, we used alternative approaches to model its three-dimensional structure. The first part of this article describes mutant cycle analysis used to identify residues on hERG's outer vestibule that interact with specific residues on the interaction surface of BeKm-1, a peptide toxin with known NMR structure and a high binding affinity to hERG. The second part describes molecular modeling of hERG's pore domain. The transmembrane region was modeled after the crystal structure of KvAP pore domain. The S5-P linker was docked to the transmembrane region based on data from previous NMR and mutagenesis experiments, as well as a set of modeling criteria. The models were further restrained by contact points between hERG's outer vestibule and the bound BeKm-1 toxin molecule deduced from the mutant cycle analysis. Based on these analyses, we propose a working model for the open conformation of the outer vestibule of the hERG channel, in which the S5-P linkers interact with the pore loops to influence ion flux through the pore.
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