Skip to main content


Figure 12 | Chemistry Central Journal

Figure 12

From: PocketPicker: analysis of ligand binding-sites with shape descriptors

Figure 12

Binding site prediction for malate dehydrogenase (PDB: 2cmd). The ligand citrate (PDB: cit) is situated in the distant end of the elongated pocket (mesh representation) that is suggested as the largest pocket by PocketPicker (blue spheres). Due to the particular shape of the pocket this example is not rated as a correct prediction as the closest ligand atom exceeds the maximal preset distance of 4 Å towards the pocket center.

Back to article page