Fig. 3
From: Inhibitor binding mode and allosteric regulation of Na+-glucose symporters
Outer gate closure explains the impact of TM9-10 residues on substrate binding. a The outer gate residue Q457 on TM10 does not interact with phlorizin (green/red) in the outward-facing model of hSGLT1. b A molecular dynamics simulation of the hSGLT1–phlorizin complex reveals significant movement in the TM9-10 outer gate bringing Q457 into direct contact with phlorizin. Additionally, EL5C (red) closes over the top of the inhibitor. This figure is a snapshot from the trajectory at 1 μs. Lipids and water are not shown for clarity
