Identification and Characterization of Bioactive Compounds Targeting Uropathogenic Escherichia coli from Sanjin Tablets

Table 5

Docking scores and interactions of Sanjin Tablets compounds to the predicted targets.

Compound number	Target PDB ID	Docking score	Number of hydrogen bonds	Residues involved
1	1I52		5	Ala15, Arg19, Arg20, Lys27, and Ser88
2	1JVY		4	Asp14, Asp65, Arg66, and Arg345
3	1MOS		6	Ser303, Ser328, Gln348, Thr352, Glu488, and Asn600
4	1I52		4	Gly18, Arg19, Arg20, and Asp106
5	1SZS		3	Gln50, Arg141, and Tyr155
6	1OHA		12	Gly44, Gly45, Asp49, Lys61, Gly64, Arg66, Asn158, Val159, Asn 160, Ala161, Thr211, and Asp212
7	1I52		3	Arg19, Arg20, and Lys27
8	1JVY		8	Lys42, Glu44, Ala63, Asp65, Arg66, Glu111, Glu153, and Arg345