3DLigandSite is a tool for predicting the likely interaction residues between monomers and ligands. Here is an overview as to how the tool works.
A detailed insight into the methodology and performace of this tool can be found here:
Please cite our 2010 paper using the following:
Wass MN, Kelley LA & Sternberg MJ (2010) 3DLigandSite: predicting ligand-binding sites using similar structures. NAR 38 Suppl:W469-73. PubMed