Journal
IEEE TRANSACTIONS ON NANOBIOSCIENCE
Volume 4, Issue 1, Pages 112-120Publisher
IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
DOI: 10.1109/TNB.2004.842473
Keywords
gating; molecular dynamics; nanopore; potassium channel
Funding
- Biotechnology and Biological Sciences Research Council [BBS/B/16011, B19456, BEP17032] Funding Source: researchfish
- Biotechnology and Biological Sciences Research Council [BEP17032, B19456, BBS/B/16011] Funding Source: Medline
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Molecular modeling and simulations enable extrapolation for the structure of bacterial potassium channels to the function of their mammalian homologues. Molecular dynamics simulations have revealed the concerted single-file motion of potassium ions and water molecules through the selectivity filter of K channels and the role of filter flexibility in ion permeation and in fast gating: Principal components analysis of extended K channel simulations suggests that hinge-bending of pore-lining M2 (or S6) helices plays a key role in K channel gating. Based on these and other simulations, a molecular model for gating of inward rectifier K channel gating is presented.
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