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

Figure 5

Docking results of Sanjin Tablet compounds into the binding pockets of their targets. (a) Complex of Kaempferol with 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (PDB ID 1I52). (b) Complex of 6-O-caffeoyloxy-glucopyranoside with maltose-binding periplasmic protein (PDB ID 1JVY). (c) Complex of Kaempferol 3-O-rutinoside with glutamine-fructose-6-phosphate aminotransferase (PDB ID 1MOS). (d) Complex of Rutin with 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (PDB ID 1I52). (e) Complex of orbiculatoside B with 4-aminobutyrate aminotransferase (PDB ID 1SZS). (f) Complex of Madecassoside with Acetylglutamate kinase (PDB ID 1OHA). (g) Complex of 1,3,8-trihydroxy-6-methylanthraquinone with 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (PDB ID 1I52). (h) Complex of Isoquercitrin with maltose-binding periplasmic protein (PDB ID 1JVY). Only the pose of binding pocket was shown for each compound-target complex. Color designations: Sanjin Tablet compounds: green; α-helices: red; β-sheets: yellow; turns: blue; loops: white.

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