SmoPSI: Analysis and Prediction of Small Molecule Binding Sites Based on Protein Sequence Information

Table 1

Detailed compositions of the 14 types of small molecules for binding sites.

Small molecular type	Hetnam	Formula	Number of sequences	Number of binding domain residues	Number of nonbinding domain residues
ACO	Acetyl coenzyme	C23 H38 N7 O17 P3 S	167	86	4256
ADP	Adenosine-5′-diphosphate	C10 H15 N5 O10 P2	807	576	20406
ANP	Phosphoaminophosphonic acid-adenylate ester	C10 H17 N6 O12 P3	386	223	10073
ATP	Adenosine-5′-triphosphate	C10 H16 N5 O13 P3	549	574	13700
COA	Coenzyme A	C21 H36 N7 O16 P3 S	350	245	8855
FAD	Flavin-adenine-dinucleotide	C27 H33 N9 O15 P2	876	1417	21359
FMN	Flavin mononucleotide; Riboflavin monophosphate	C17 H21 N4 O9 P	425	552	10498
GDP	Guanosine-5′-diphosphate	C10 H15 N5 O11 P2	214	294	5270
GNP	Phosphoaminophosphonic acid-guanylate ester	C10 H17 N6 O13 P3	187	344	4518
NAD	Nicotinamide-adenine-dinucleotide	C21 H27 N7 O14 P2	1053	1305	26073
NAP	NADP nicotinamide-adenine-dinucleotide phosphate	C21 H28 N7 O17 P3	529	806	12948
NDP	NADPH dihydro-nicotinamide-adenine-dinucleotide; Phosphate	C21 H30 N7 O17 P3	334	462	8222
SAH	S-adenosyl-L-homocysteine	C14 H20 N6 O5 S	465	371	11719
SAM	S-adenosylmethionine	C15 H22 N6 O5 S	240	186	6054