Table 12.
Binding interactions of molecule 11 with the active site of pH1N1 neuraminidase.
| Bond Distance (Å) | Interaction type | From | Chemistry | To | Chemistry |
|---|---|---|---|---|---|
| 4.95601 | Electrostatic | A: ARG118 | Positive | 11 | Negative |
| 5.01423 | Electrostatic | A: ARG118 | Positive | 11 | Negative |
| 4.61425 | Electrostatic | A: ARG292 | Positive | 11 | Negative |
| 5.19025 | Electrostatic | A: ARG292 | Positive | 11 | Negative |
| 3.54855 | Electrostatic | A: ARG371 | Positive | 11 | Negative |
| 3.00036 | Hydrogen Bond | A: ARG118 | H-Donor | 11 | H-Acceptor |
| 2.76845 | Hydrogen Bond | A: ARG371 | H-Donor | 11 | H-Acceptor |
| 2.30669 | Hydrogen Bond | A: ARG371 | H-Donor | 11 | H-Acceptor |
| 1.83219 | Hydrogen Bond | 11 | H-Donor | A: GLU227 | H-Acceptor |
| 2.68284 | Carbon H-Bond | A: ARG371 | H-Donor | 11 | H-Acceptor |
| 2.98371 | Carbon H-Bond | 11 | H-Donor | A: GLU276 | H-Acceptor |
| 3.29475 | Other (Sulfur-X) | 11 | Sulfur | A: TYR406 | O, N, S |
| 3.12597 | Electrostatic | A: ARG371 | Positive | 11 | Pi-Orbitals |
| 3.46195 | Electrostatic | A: GLU277 | Negative | 11 | Pi-Orbitals |
| 3.4012 | C–H bond (Pi-Donor) | A: TYR406 | H-Donor | 11 | Pi-Orbitals |
| 5.16441 | Other (Pi-Sulfur) | 11 | Sulfur | A: TYR406 | Pi-Orbitals |
| 3.7482 | Hydrophobic (Alkyl) | 11 | Alkyl | A: ARG371 | Alkyl |
| 4.05516 | Hydrophobic (Alkyl) | 11 | Alkyl | A: LYS432 | Alkyl |
| 5.20931 | Hydrophobic (Pi-Alkyl) | A: TRP403 | Pi-Orbitals | 11 | Alkyl |
| 5.1745 | Hydrophobic (Pi-Alkyl) | 11 | Pi-Orbitals | A: PRO431 | Alkyl |