Table 5.
Favorable non-bond interactions between melatonin and coronavirus2 proteins.
| PDB IDs | Distance (Å) | Category | Type | From | From chemistry | To | To chemistry |
|---|---|---|---|---|---|---|---|
| 6LU7 | 2.59208 | Hydrogen bond | Conventional hydrogen bond | A:GLU166:N | H-donor | :UNK0:O | H-acceptor |
| 2.90848 | Hydrogen bond | Conventional hydrogen bond | :UNK0:H | H-donor | A:HIS164:O | H-acceptor | |
| 1.89804 | Hydrogen bond | Carbon hydrogen bond | :UNK0:H | H-donor | A:GLU166:O | H-acceptor | |
| 4.14288 | Hydrogen bond; other | Pi-donor hydrogen bond; Pi-sulfur | A:CYS145:SG | H-donor; sulfur | :UNK0 | Pi-orbitals; Pi-orbitals | |
| 5.43636 | Hydrophobic | Pi-alkyl | :UNK0 | Pi-orbitals | A:CYS145 | Alkyl | |
| 6M03 | 3.92902 | Hydrophobic | Pi-sigma | A:MET165:CA | C-H | :UNK0 | Pi-orbitals |
| 5.63023 | Hydrophobic | Pi-Pi T-shaped | A:HIS41 | Pi-orbitals | :UNK0 | Pi-orbitals | |
| 5.32694 | Hydrophobic | Pi-alkyl | :UNK0 | Pi-orbitals | A:CYS145 | Alkyl | |
| 6W63 | 2.47167 | Hydrogen bond | Conventional hydrogen bond | :UNK0:H | H-donor | A:GLU166:O | H-acceptor |
| 5.46262 | Hydrophobic | Pi-Pi T-shaped | A:HIS41 | Pi-orbitals | :UNK0 | Pi-orbitals | |
| 4.3243 | Hydrophobic | Pi-alkyl | :UNK0 | Pi-orbitals | A:MET165 | Alkyl | |
| 3.98009 | Hydrophobic | Pi-alkyl | :UNK0 | Pi-orbitals | A:MET165 | Alkyl |