Ontology highlight
ABSTRACT:
SUBMITTER: LeVine MV
PROVIDER: S-EPMC5773750 | biostudies-literature | 2018 Jan
REPOSITORIES: biostudies-literature
LeVine Michael V MV Cuendet Michel A MA Razavi Asghar M AM Khelashvili George G Weinstein Harel H
Biophysical journal 20171115 1
Allostery plays a crucial role in the mechanism of neurotransmitter-sodium symporters, such as the human dopamine transporter. To investigate the molecular mechanism that couples the transport-associated inward release of the Na<sup>+</sup> ion from the Na2 site to intracellular gating, we applied a combination of the thermodynamic coupling function (TCF) formalism and Markov state model analysis to a 50-μs data set of molecular dynamics trajectories of the human dopamine transporter, in which m ...[more]