Figure 2.
A) Dezocine (magenta) overlaps with beta-Funaltrexamine (orange,) a mu receptor antagonist and the ligand found in the crystal structure of the mu opioid receptor (4DKL13, in the binding pocket. Polar interaction with ASP147 and TYR326 is predicted. B) Dezocine (magenta) overlaps with JDTic (orange), a kappa receptor antagonist and the ligand found in the crystal structure of the kappa opioid receptor (4DJH) 14, in the binding pocket. Some of interacting residues (ASP 138, TYR 139 and MET 142) are colored in yellow. A nitrogen in dezocine might hydrogen bond with oxygen atoms of ASP 138 (distance colored in magenta, 2.6 Å, or in green, 2.8 Å).