TABLE 2

Docking of antibiotics to AdeB

Binding siteAntibioticBinding affinity (kcal/mol)
Periplasmic cleftCiprofloxacin−7.6
Erythromycin−8.5
Gentamicin−7.7
Imipenem−6.7
Tigecycline−8.9
Proximal siteCiprofloxacin−7.3
Erythromycin−9.0
Gentamicin−7.4
Imipenem−6.9
Tigecycline−8.7
Distal siteCiprofloxacin−7.2
Erythromycin−8.6
Gentamicin−7.1
Imipenem−6.8
Tigecycline−8.3