Fig. 2. The ligand-binding pocket of D₂R_spi.

a Close-up view of the ligand-binding pocket of D₂R_spi. Spiperone and D₂R are indicated in orange and green, respectively. The side chains of the contact residues within 4.5 Å of spiperone are shown as green sticks. The side chain of W100^23.50 is indicated in magenta. The side chains of the residues in the PIF motif are shown as blue sticks. b Diagram of the interactions between D₂R and spiperone. c Fab3089 binding site. The side chains of I183^45.51 of D₂R_spi and Y55 of Fab3089 are shown as green and cyan sticks, respectively. d Vertical cross section of (a). Red and blue circles indicate the EBP and the bottom hydrophobic cleft, respectively.