Fig. 5.

Surface representation of open and closed conformations of human and bacterial MGL. A) Crystal structure of bMGL in the open conformation. B) bMGL structure in the closed conformation after a 100 ns unrestrained molecular dynamics simulation in explicit water. C) Crystal structure of hMGL in the open conformation and D) hMGL structure in the closed conformation with inhibitor bound. Active site residues are shown in blue, cap regions are shown in magenta and green for bMGL and hMGL respectively. The circles mark the entrance to the binding pocket.