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• W2095097629 endingPage "267" @default.
• W2095097629 startingPage "256" @default.
• W2095097629 abstract "The bacterial channel KirBac1.1 provides a structural homolog of mammalian inward rectifier potassium (Kir) channels. The conformational dynamics of the selectivity filter of Kir channels are of some interest in the context of possible permeation and gating mechanisms for this channel. Molecular dynamics simulations of KirBac have been performed on a 10-ns timescale, i.e., comparable to that of ion permeation. The results of five simulations (total simulation time 50 ns) based on three different initial ion configurations and two different model membranes are reported. These simulation data provide evidence for limited (<0.1 nm) filter flexibility during the concerted motion of ions and water molecules within the filter, such local changes in conformation occurring on an ∼1-ns timescale. In the absence of K+ ions, the KirBac selectivity filter undergoes more substantial distortions. These resemble those seen in comparable simulations of other channels (e.g., KcsA and KcsA-based homology models) and are likely to lead to functional closure of the channel. This suggests filter distortions may provide a mechanism of K-channel gating in addition to changes in the hydrophobic gate formed at the intracellular crossing point of the M2 helices. The simulation data also provide evidence for interactions of the “slide” (pre-M1) helix of KirBac with phospholipid headgroups." @default.
• W2095097629 created "2016-06-24" @default.
• W2095097629 creator A5041718990 @default.
• W2095097629 creator A5074261138 @default.
• W2095097629 creator A5077772772 @default.
• W2095097629 date "2004-07-01" @default.
• W2095097629 modified "2023-10-17" @default.
• W2095097629 title "Filter Flexibility and Distortion in a Bacterial Inward Rectifier K+ Channel: Simulation Studies of KirBac1.1" @default.
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• W2095097629 doi "https://doi.org/10.1529/biophysj.104.039917" @default.
• W2095097629 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/1304348" @default.
• W2095097629 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15240462" @default.
• W2095097629 hasPublicationYear "2004" @default.
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