Ligand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual Screening
Fig 1
ASCT2 models in different conformations reveal gating mechanism of the HP2 loop.
Side (A) and cytoplasmic (B) view of the ASCT2 models in the occluded conformation are represented in gray ribbons. The HP2 loop of the outward-open conformation (pink ribbons) is superposed to the occluded model. Atoms of the substrate cysteine are shown as spheres where oxygen atoms are displayed in red, sulfur in yellow, and carbon atoms in cyan. Sodium ions are illustrated as small purple spheres.