Table 3. Percentage of protein binding site matches between the CcO steroid binding site and diverse Binding MOAD sites.

SimSite3D aligns ligand binding sites based on the site’s chemically labeled template points and the solvent-accessible molecular surface. The aligned points between the CcO bile acid site and diverse proteins in Binding MOAD may then be mapped back to individual residues. Five CcO residues were identified as being shared by high-scoring, diverse sites. The percentage of sites sharing a given residue interaction is shown below.

CcO residue	Nucleotide sites	Nicotinamide sites	Flavin sites	Steroid sites	Lipidic sites
P315	52	63	87	60	36
H96	70	91	100	60	100
S98	54	67	65	60	29
E101	66	100	50	0	29
T105	96	100	65	20	19