Informing NMR experiments with molecular dynamics simulations to characterize the dominant activated state of the KcsA ion channel.

ABSTRACT: As the first potassium channel with an x-ray structure determined, and given its homology to eukaryotic channels, the pH-gated prokaryotic channel KcsA has been extensively studied. Nevertheless, questions related, in particular, to the allosteric coupling between its gates remain open. The many currently available x-ray crystallography structures appear to correspond to various stages of activation and inactivation, offering insights into the molecular basis of these mechanisms. Since these studies have required mutations, complexation with antibodies, and substitution of detergents in place of lipids, examining the channel under more native conditions is desirable. Solid-state nuclear magnetic resonance (SSNMR) can be used to study the wild-type protein under activating conditions (low p

SUBMITTER: Perez-Conesa S 

PROVIDER: S-EPMC9250420 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature