Table 2 Binding sites of BlaR-CTD protein to β-lactam antibiotics
β-lactams | The AAs involved in the formation of hydrogen bonds with β-lactams | Score |
|---|---|---|
Pivampicillin | S55, S103, T105, T193, T195 | 8.35 |
Moxalactam | S55, S103, T105, T195 | 7.12 |
Cefapirin | S55, S103, T105, T193, T195 | 6.63 |
Cefalotin | S55, S103, T105, T193, T195 | 6.59 |
Ceftazidime | Y87, S103, T195 | 6.55 |
Cloxacillin | S55, S103, T105, T195 | 6.31 |
Carbenicillin | S55, S103, T193, T195 | 6.27 |
Cefoxitin | S55, S103, T105, T193, T195 | 6.07 |
Cefamandole | S55, S103, T193, T195 | 5.96 |
Floxacillin | S55, Y87, S103, T105, T195 | 5.88 |
Cefotaxime | S55, Y87, S103, T105, T193, T195 | 5.60 |
Cefepime | E89, S103, T193, T195, S233 | 5.59 |
Cefradine | S55, S103, T193, T195 | 5.51 |
Cefalonium | S55, S103, T105, T195 | 5.48 |
Cefquinome | S55, E89, S103, T193, T195 | 5.45 |
Penicillin G | S55, S103, T195 | 5.43 |
Cefuroxime | Y87, S101, S103, T105, T193, T195 | 5.12 |
Dicloxacillin | S55, S103, T105, T195 | 5.11 |
Cefaclor | S55, S103, T193, T195 | 4.92 |
Penicillin V | S55, T195 | 4.70 |
Cefazolin | S55, S103, T105, T195 | 4.68 |
Imipenem | S55, S103, T193, T195 | 4.65 |
Ampicillin | S55, S103, T195 | 4.62 |
Sulbenicillin | S103, T105, T193, T195 | 4.53 |
Ticarcillin | S103, T105, T195 | 4.52 |
Cefalexin | E89, S102, T195, S233 | 4.47 |
Cefatriaxone | S55, E89, T193, T195, S233 | 4.37 |
Methicillin | Y87, T195 | 4.36 |
Piperacillin | Y87, T193 | 4.12 |
Azlocillin | Y87, T105, T193 | 3.94 |
Cefadroxil | S55, S103, T105, T195 | 3.84 |
Nafcillin | S55, S103, T105 | 3.82 |
Cephalosporin | S103, S233 | 3.81 |
Amoxicillin | S55, Y87, T193, T195 | 3.61 |
Furbenicillin | S103, T193, T195 | 3.47 |
Oxacillin | Y87, T193, T195 | 3.44 |
Aztreonam | Y87, E89, S102, T105, T195 | 3.33 |
Ceftiofur | S55, T105, T195, S233 | 2.92 |
Cefoperazone | S55, E89, S101, S103, T195 | 2.53 |
Cefminox | S55, T195, R229 | −0.51 |