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. Author manuscript; available in PMC: 2017 Jun 5.
Published in final edited form as: J Comput Chem. 2016 Nov 16;38(15):1252–1259. doi: 10.1002/jcc.24523

Figure 1.

Figure 1

Cartoon representation of different members of holo protein database. In the Singleton (left) case, the protein (orange) binds one ligand (blue) in its pocket. Multi-Ligs (middle) are proteins having more than one Singleton ligand (cyan and green) bound to a protein (magenta). COLIGs (right) are a subset of holo PDBs that have at least two ligands (yellow and red) in the same pocket that are in contact with each other.