Table 2.
Structural elements of melatonin involved in the interactions with its target proteins.
| Receptor | PDB | Ligand | Affinity | Methoxy | Benzene ring | Pyrrole ring | Alkylamide | |||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Position | HB | HC | Pi | HC | Pi | Position | HB | HC | ||||
| MT1 | 6ME3 | 2-PMT | nM | Flat | X | X | Down | X | ||||
| MT2 | 6ME6 | 2-PMT | nM | Flat | X | X | Down | X | X | |||
| QR2 | 2QWX | Melatonin (site 1) Melatonin (site 2) |
μM | Flat Flat |
X X |
X X |
X | Up Down |
X |
|||
| Hyp-1 | 5l8F | Melatonin (site 1) Melatonin 1 (site 2) Melatonin 2 (site 2) |
mM | Down Down Flat |
X X X |
X X X |
X | Down Down Up |
X |
X X |
||
| LLPR-10.2B | 5MXB | Melatonin (site 1) Melatonin (site 2) |
mM | Down Flat |
X X |
X X |
X | Down Up |
X X |
X |
||
HB, Hydrogen Bonds; HC, Hydrophobic Contacts; Pi, Pi (π) Interactions.