Fig. 4: Detailed representation of the binding sites for IMI and VLZ in SERT.
From: The antidepressant drug vilazodone is an allosteric inhibitor of the serotonin transporter
a Overall view of SERT:IMI:VLZ complex in cartoon representation; IMI (yellow) and VLZ (red) are depicted as spheres. The “eye” represents the angle view depicted in (b) and (c). b Detailed representation of the IMI binding site in S1. IMI binding is mainly formed by side chain residues in TM1, 3, 6, 8, and 10. Residues that interact with IMI are annotated and shown in violet sticks. IMI is shown in yellow sticks and VLZ as gray sphere. c Detailed representation of the VLZ binding site in S2. Residues that interact with VLZ are annotated and shown in violet sticks, Arg104 and Glu493 are shown in pink. VLZ is shown in red sticks and IMI as gray sphere. The salt bridge formed between Arg104 and Glu493 is shown as purple dashed lines. TM: Transmembrane, EL: Extracellular loop, IL: Intracellullar loop.
