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 artefacts
Hmm, this makes me think of how upon deposition to the PDB, we describe the
expected biological assembly that a crystal structure represents. This is a
judgement call, but can be backed up with experimental data. A similar flag
for physiological ligands as opposed to components of the crystallizati
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,
cryoprot
