Firslty, there is credo http://marid.bioc.cam.ac.uk/credo a database set up in
the Blundell lab, that deals with protein ligand interactions. That might be of
interest.
Second, as more general points.
I see your point Shane, I'd argue there is no great value in trying to
distinguish
This week a bioinformatics PhD candidate was talking about his PDB analysis
tool which was aimed at studying protein-ligand statistics and asked for
some advice on what should he consider as biologically relevant or not. I
told him many of the most common molecules he found were buffers,
