Predicted and Consensus Interaction Sites in Enzymes (PRECISE)

PRECISE will provide query and visualization tools for the comparative analyses of the interactions extracted from the structures of enzymes and their complexes with ligands (substrate and transition state analogues, cofactors, inhibitors, and products). For each enzyme, we derive a consensus binding site, obtained by aligning all homologous sequences, identifying the residue positions that are important for the binding of any ligand, and assessing the roles of amino acids at these positions. The identification of consensus residues is based on three sources: (1) relevant enzyme-ligand complex structures in the PDB, (2) computational solvent mapping, and (3) interactions submitted to the data base. At this point we have only a beta version available.