Ontology highlight
ABSTRACT:
SUBMITTER: Thomas JR
PROVIDER: S-EPMC3388204 | biostudies-literature | 2012 Jul
REPOSITORIES: biostudies-literature
Thomas James R JR Gedeon Patrick C PC Grant Barry J BJ Madura Jeffry D JD
Biophysical journal 20120701 1
Monoamine transporters (MATs) function by coupling ion gradients to the transport of dopamine, norepinephrine, or serotonin. Despite their importance in regulating neurotransmission, the exact conformational mechanism by which MATs function remains elusive. To this end, we have performed seven 250 ns accelerated molecular dynamics simulations of the leucine transporter, a model for neurotransmitter MATs. By varying the presence of binding-pocket leucine substrate and sodium ions, we have sampled ...[more]