A Comprehensive Survey of Small-Molecule Binding Pockets in Proteins
Figure 3
Distribution of Tanimoto coefficient scores of small-molecule compounds found in the PDB.
Tc scores from all-against-all comparison of 9,485 ligands were employed to create the histogram. Insert table shows the fraction of Tc scores higher than threshold scores. Insert diagrams display chemical structures of ADP and five structurally related ligands: adenosine triphosphate (ATP), adenosine (ADN), NADPH dihydro-nicotinamide-adenine-dinucleotide phosphate (NDP), S-adenosyl-L-homocysteine (SAH), and α-phosphoribosylpyrophosphoric acid (PRP). Their Tc scores in comparison to ADP are provided under their name labels.