Fig. 4.

Comparison between serotonin binding to D7r4 protein and the predicted mode of binding of bendiocarb. Serotonin, as visualised in the crystal structure (PDB code 2qeh; [15]), is displayed on the left, and the ROSIE server [16, 17] predicted pose of bendiocarb for the same protein on the right, each in a stick representation. Ligand atoms are coloured white (carbon), red (oxygen) or blue (nitrogen). Solvent-accessible protein surfaces were calculated within PyMOL using the default solvent molecule radius of 1.4 Å. Surface contributed by carbon atoms is coloured green in the serotonin complex and yellow in the bendiocarb complex. In both, red and blue are used for surface contributed by oxygen or nitrogen atoms, respectively. The figure was made with PyMOL (pymol.org)