Table 2.
Penicillins | Distance (Å) | ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PDB code | Enzyme | Resolution (Å) | Hydrolized β-lactam | Reference | Chain | Zn1-Zn2 | Wat1-Zn1 | Wat1-Zn2 | Wat2-Zn2 | C7O-Zn1 | C7O-Zn2 | C3O-Zn2 | N4-Zn2 |
3Q6X | NDM-1a (B1) | 1.3 | ampicillin | [59] | A | 4.6 | 2.1 | 3.0 | - | 2.4 | 4.3 | 2.2 | 2.2 |
B | 4.6 | 2.0 | 3.0 | - | 2.5 | 4.3 | 2.2 | 2.2 | |||||
4EYF | NDM-1a (B1) | 1.8 | penicillin G | [44] | A | 4.6 | 1.9 | 3.1 | - | 2.5 | 4.4 | 2.2 | 2.2 |
B | 4.6 | 2.0 | 3.1 | - | 2.4 | 4.4 | 2.1 | 2.2 | |||||
4EY2 | NDM-1a (B1) | 1.2 | methicillin | [44] | A | 4.6 | 2.0 | 3.0 | - | 2.5 | 4.4 | 2.2 | 2.1 |
B | 4.6 | 2.0 | 3.0 | - | 2.5 | 4.4 | 2.2 | 2.2 | |||||
4EYB | NDM-1a (B1) | 1.2 | oxacillin | [44] | A | 4.5 | 2.0 | 2.9 | - | 2.5 | 4.4 | 2.2 | 2.1 |
B | 4.6 | 2.0 | 3.0 | - | 2.5 | 4.4 | 2.1 | 2.1 |
Cephalosporins | |||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PDB code | Enzyme | Resolution (Å) | Hydrolized β-lactam | Reference | Chain | Zn1-Zn2 | Wat1-Zn1 | Wat1-Zn2 | Wat2-Zn2 | C8O-Zn1 | C8O-Zn2 | C4O-Zn2 | N5-Zn2 |
2AIO | L1 (B3)a | 1.7 | moxalactam | [60] | 3.7 | 2.0 | 2.2 | - | 2.4 | 4.2 | 2.3 | 2.4 | |
4RL0 | NDM-1b (B1) | 1.3 | cefuroxime | [79] | A | 3.8 | 2.0 | 2.2 | - | 2.8 | 4.2 | 2.1 | 2.4 |
B | 3.8 | 2.0 | 2.2 | - | 2.9 | 4.2 | 2.2 | 2.3 | |||||
4RL2 | NDM-1a (B1) | 2.0 | cephalexin | [79] | A | 4.5 | 1.8 | 3.0 | - | 2.5 | 4.3 | 2.3 | 2.4 |
B | 4.5 | 2.0 | 2.8 | - | 2.4 | 4.3 | 2.3 | 2.4 |
Carbapenems | |||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PDB code | Enzyme | Resolution (Å) | Hydrolized β-lactam | Reference | Chain | Zn1-Zn2 | Wat1-Zn1 | Wat1-Zn2 | Wat2-Zn2 | C7O-Zn1 | C7O-Zn2 | C3O-Zn2 | N4-Zn2 |
4EYL | NDM-1a (B1) | 1.9 | meropenem | [44] | A | 4.0 | - | - | - | 2.3 | 2.5 | 3.0 | 2.2 |
B | 3.9 | - | - | - | 2.2 | 2.7 | 2.9 | 2.3 | |||||
4RBS | NDM-1a (B1) | 2.4 | meropenem | To be published (Kim, Y. et al) | A | 4.0 | - | - | - | 2.0 | 3.3 | 3.0 | 2.1 |
B | 4.0 | - | - | - | 2.2 | 3.0 | 3.1 | 2.1 | |||||
Wat1-H118 | Wat1-D120 | Wat1-H196 | Wat1-Zn2 | Wat2-Zn2 | C3O-Zn2 | N4-Zn2 | |||||||
1X8I | CphA (B2)a | 1.9 | biapenem | [61] | 2.7 | 2.8 | 4.0 | 3.4 | - | 2.4 | 2.2 |