Co-complex structures and alignment audit

Every co-complex structure the binding sites are read from

One row per solved structure. The site residues are given in that structure's own numbering, not mapped onto the human sequence, so each row can be checked directly against its PDB file. Nothing on this page is truncated. Click any SMILES to see the ligand drawn. contents.

Two columns say how much of each row is observation. Site source is read when the bound ligand in that structure produced the contacts itself, and inferred when the site was carried in from another structure of the same gene by alignment. Ligand is the molecule whose 4.5 angstrom contacts defined the site. A site defined by a nucleotide or by a crystallisation additive is not a site defined by a drug, and is flagged as such.