Extended Data Fig. 3: Representative atomistic MD snapshots showing the binding pocket for LSD+ (purple) and PSI+ (green) in the extracellular-facing crevice of the wild-type TrkB TMD dimer (gray).
From: Psychedelics promote plasticity by directly binding to BDNF receptor TrkB
a-c, g-i, Drugs are shown in licorice representation and protein is shown in surface representation. d-f, j-l, Drugs and protein are shown in van der Waals representation. Y433 residues are shown with yellow carbon atoms. m, n, 2D diagrams of protein-ligand interaction for protonated LSD (m) and protonated PSI (n) in their binding pockets. Oxygen, nitrogen, and hydrogen atoms are shown in red, blue, and white, respectively.
