Key result
Molecular dynamics simulations revealed that the carbonyl of Phe627 rotates away from the conduction axis in wild-type hERG channels, a change that occurs less frequently in non-inactivating mutants.
Molecular dynamics simulations provide a structural basis for C-type inactivation in hERG potassium channels, highlighting the role of Phe627 rotation and water molecule interactions.
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Highlights Phe627 dynamics in hERG inactivation; extends structural models but leaves open physiologic relevance.
Stansfeld et al. (2008) studied this question. Molecular dynamics simulations vs. Non-inactivating mutant channels was evaluated on Conformational changes in the selectivity filter. Molecular dynamics simulations revealed that the carbonyl of Phe627 rotates away from the conduction axis in wild-type hERG channels, a change that occurs less frequently in non-inactivating mutants.
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