JOURNAL OF BIOLOGICAL CHEMISTRY, cilt.290, sa.1, ss.544-555, 2015 (SCI-Expanded)
Background: LeuT is a homologue of neurotransmitter transporters. Results: Microseconds simulations disclose multiple translocation sites for Na+, including a new site for initial binding. Conclusion: Coupled Na+- and substrate-binding events are accompanied by local and global (interhelical) rearrangements in the outward facing structure. Significance: New insights are gained into Na+ and substrate uptake/efflux mechanisms of LeuT.