Proteins | Ligands | Docking score | Interact H-bonds | No. of H-bonds | Pi-cations | Pi-pi stacking | Salt bridges |
---|---|---|---|---|---|---|---|
AcrB | Ciprofloxacin | -4.151 | GLN89, THR91 | 2 | Â | Â | Â |
Fosfomycin | -4.964 | SER79, GLU826 | 2 | Â | Â | Â | |
Enterobactin | -6.565 | SER79, THR91, PHE617, GLU683, ASN719, GLU817, GLU826 | 8 | Â | Â | Â | |
TolC | Ciprofloxacin | -4.113 | ASN58, GLN273 | 2 | Â | Â | Â |
Fosfomycin | -4.917 | ASP56 | 1 | Â | Â | Â | |
Enterobactin | -6.308 | GLN273 (A), GLN273 (C), GLY271 | 3 | Â | Â | Â | |
FepA | Fe+3-enterobactin | -5.585 | ARG283 | 1 | Â | Â | Â |
Fe+3-enterobactin -Ciprofloxacin | -6.3 | ARG283, PHE 337 | 2 | Â | Â | Â | |
Fe+3-enterobactin -Fosfomycin | -5.605 | ARG283 | 1 | Â | Â | ARG283 | |
FepB | Fe+3-enterobactin | -4.388 | ASN77, THR74 | 2 | Â | PHE300 | Â |
Fe+3-enterobactin -Ciprofloxacin | -6.789 | ARG87 | 1 | LYS270 | Â | Â | |
Fe+3-enterobactin -Fosfomycin | -5.986 | ASN77, ARG78, THR200 | 3 | Â | PHE300 | ARG78 | |
FepC | Fe+3-enterobactin | -7.09 | TRP65 | 1 | Â | TRP65 | Â |
Fe+3-enterobactin -Ciprofloxacin | -7.120 | TRP65, LEU26, THR52 | 3 | Â | TRP65 | Â | |
Fe+3-enterobactin -Fosfomycin | -7.675 | VAL28 | 1 | Â | Â | Â | |
FepD | Fe+3-enterobactin | -6.217 | GLN179, SER187, ASN192 | 4 | Â | Â | Â |
Fe+3-enterobactin -Ciprofloxacin | -6.810 | ASN 192, THR 195 | 2 | Â | Â | Â | |
Fe+3-enterobactin -Fosfomycin | -8.016 | SER102, PHE182, TRP183 | 3 | Â | Â | Â | |
FepG | Fe+3-enterobactin | -5.318 | GLU172 | Â | Â | PHE111 | Â |
Fe+3-enterobactin -Ciprofloxacin | -6.360 | No Bonds | Â | Â | Â | Â | |
Fe+3-enterobactin -Fosfomycin | -6.3136 | THR173, ALA107, LYS168 | Â | Â | Â | LYS168 | |
DNA gyrase | Ciprofloxacin | -6.264 | SER129, THR173 | 2 | Â | Â | Â |
Fe+3-enterobactin -Ciprofloxacin | -8.597 | GLU50, ASP57 | 3 | Â | Â | Â | |
MurA | Fosfomycin | -3.756 | ASP211 | 2 | Â | Â | Â |
Fe+3-enterobactin -Fosfomycin | -5.481 | ASP260, ASP257, ARG212, ASP211 | 7 | ARG212 | Â | Â |