Enhancing the functional annotation of PDB structures in PDBsum using key figures extracted from the literature

Motivation: The Protein Data Bank (PDB) contains over 43 800 experimentally determined 3D models of macromolecular structures and their complexes. Each 3D model reveals something interesting and important about the given molecule's function and biological significance. Usually the best source of this information is the original article describing it, and it is often possible to discern the key aspects of the structure from just one or two of the figures in that article. Results: Here we describe how, with the permission of the journals and their publishers, we have endeavoured to make these key figures publicly available to enhance the functional information relating to each PDB entry in our PDBsum database.