Table 3. Ligand-protein interactions determined through LigPlot.
| Amino acid in Src kinase | Hydrophobic interactions1 | Ligand | |||
| Saracatinib | Isopraeroside IV | 9HFG | Aurantiamide | ||
| Leu273/Leu393 | + | A/A | A/A | A/A | A/A |
| Gly274/Gly344 | + | -/A | A/A | -/A | A/A |
| Val281 | + | - | A | A | A |
| Ala293/Ala390 | + | - | A/- | H1 | - |
| Lys295 | + | - | - | H2 | A |
| Tyr340 | + | A | H1 | - | - |
| Met341 | − | H1 | H1 | - | - |
| Ser345 | − | - | H2 | A | H1 |
| Asp348/Asp404 | − | - | H2/- | -/H1 | H1/A |
| Asn391 | − | - | - | H1 | - |
| Glu399 | − | - | H1 | H1 | - |
1
Amino acid residues where hydrophobic interactions are observed are denoted by the “+” symbol.
A: hydrophobic interaction.
H1: form one hydrogen bond between ligand and amino acid.
H2: form two hydrogen bond between ligand and amino acid.