The occupancy of ligands on predicted pocket sites. Grey: the whole pocket sites, Red: mass center of pocket sites and Magenta: ligand. a). Carbonic anhydrase II (2cba), a perfect prediction. b). Acetylchitotriose (1hel) good prediction but only a small part of ligand atoms occupy the pocket sites. c). Purine nucleoside phosphorylase (1ula), the pocket sites cover all atoms of the ligand. The minimal distance is 5.10 Å since ligand is very small and it is not counted as a hit.
Huang and Schroeder BMC Structural Biology 2006 6:19 doi:10.1186/1472-6807-6-19