Table 3. Distances between Residues E57, E58, E90, and E120 and Berberine (Be), Malachite Green (MG), and Dequalinium (Dq) in the wt and QacR(E57Q) and QacR(E58Q) Mutant−Drug Complexesa.
| distance (Å) |
|||||
|---|---|---|---|---|---|
| charge center | QacR | E/Q57 | E/Q58 | E90 | E120 |
| Be (N1) | wt | 5.6 | 4.9 | ||
| E58Q | 8.7 | 8.6 | |||
| MG (N2) | wt | 3.4 | |||
| E57Q | 3.8 | ||||
| E58Q | 3.5 | ||||
| MG (N3) | wt | 3.6 | |||
| E57Q | 4.3 | ||||
| E58Q | 3.7 | ||||
| Dq (N1) | wt | 4.8 | |||
| E57Q | 4.4 | ||||
| E58Q | 4.9 | ||||
| Dq (N2) | wt | 4.8 | 4.9 | ||
| E57Q | 4.3 | 5.9 | |||
| E58Q | 4.7 | 5.7 | |||
a
The distances (in angstroms) are from the atom in the specified residue that is closest to the listed atom in the drug.