Databases for protein-ligand complexes.

Abstract

Recent advances in experimental techniques have led to an enormous explosion of available data about protein-ligand complexes. To exploit the information that is hidden in these large data, collection tools for managing and accessing huge data collections are needed. This paper discusses databases for protein-ligand data which are accessible via the World Wide Web. A strong focus is placed on the ReLiBase database system which is a new three-dimensional database for storing and analysing structures of protein-ligand complexes currently deposited in the Brookhaven Protein Data Bank (PDB). ReLiBase contains efficient query tools for identifying and analysing ligands and protein-ligand complexes. Its application for structure-based drug design is illustrated.