Analysis of the docked ligands.

The first two lines show the solvent-accessible surface area (Å2) of the ligands (the enzyme's substrate, dephosphocoenzyme A; its product, coenzyme A and its metabolic regulator, CTP) in complex with the protein and in their uncomplexed forms. Then follows a detailed comparative analysis of the residues in the mycobacterial CoaE interacting with the ligands, showing the distance between the interacting residue and the ligand in Å, the surface area of contact in Å2 and the number of contacts formed by an individual amino acid residue with the ligand.