A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state

Nat Commun. 2016 May 25:7:11673. doi: 10.1038/ncomms11673.

Abstract

Bacterial members of the neurotransmitter:sodium symporter (NSS) family perform Na(+)-dependent amino-acid uptake and extrude H(+) in return. Previous NSS structures represent intermediates of Na(+)/substrate binding or intracellular release, but not the inward-to-outward return transition. Here we report crystal structures of Aquifex aeolicus LeuT in an outward-oriented, Na(+)- and substrate-free state likely to be H(+)-occluded. We find a remarkable rotation of the conserved Leu25 into the empty substrate-binding pocket and rearrangements of the empty Na(+) sites. Mutational studies of the equivalent Leu99 in the human serotonin transporter show a critical role of this residue on the transport rate. Molecular dynamics simulations show that extracellular Na(+) is blocked unless Leu25 is rotated out of the substrate-binding pocket. We propose that Leu25 facilitates the inward-to-outward transition by compensating a Na(+)- and substrate-free state and acts as the gatekeeper for Na(+) binding that prevents leak in inward-outward return transitions.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Amino Acid Transport Systems / chemistry
  • Amino Acid Transport Systems / isolation & purification
  • Amino Acid Transport Systems / metabolism*
  • Escherichia coli
  • HEK293 Cells
  • Humans
  • Leucine / metabolism
  • Molecular Dynamics Simulation
  • Plasma Membrane Neurotransmitter Transport Proteins / metabolism*
  • Protein Conformation
  • Sodium / metabolism

Substances

  • Amino Acid Transport Systems
  • Plasma Membrane Neurotransmitter Transport Proteins
  • Sodium
  • Leucine