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Table 2 Binding sites of BlaR-CTD protein to β-lactam antibiotics

From: Analysis of the stability and affinity of BlaR-CTD protein to β-lactam antibiotics based on docking and mutagenesis studies

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