Table 6. Predicted amino acid residues in protein templates using molecular docking methods.
| PDB ID | Compound | Amino acid residues in H-bond | Amino acids residues in antifungal proteins |
|---|---|---|---|
| 1FI4 | Wortmannin | SER-258 | THR262, SER258, MSE255, VAL229, LEU221 |
| Voriconazole | ALA303 | ASP205, ALA303, GLY304, ASP201, GLY 112, SER 207 | |
| 1S4N | Wortmannin | SER382,TYR380 | SER382, TYR380, HIS379, ILE378, LEU431, GLN429 |
| Pyridobenzimidazole | SER382 | ASP383, HIS379, GLU396, TYR426, LEU431, SER382 | |
| 3A58 | Wortmannin | ASN106,CYS93 | GLU103, ASP98, CYS93, LYS100, ASN106 |
| Nikkomycin | ARG96,CYS93 | ARG96, PRO105, GLU103, ASP98, ILE166, CYS92, ASP98 |