Binding information for 1tow_ligand_1_2.mol2(FDBF00010)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tow_ligand_1_2.mol2 | 1tow | 1 | -7.89 | [N@H+]1([C@H]2CCCC[C@@H]2[C@@H]2[C@H]1CCCC2)C | 14 |
Structure and binding mode of 1tow_ligand_1_2.mol2(FDBF00010)
Important binding residues for 1tow_ligand_1_2.mol2(FDBF00010)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tow | PHE16 | -1.07 | 0.52 | -0.55 | 0.09 | -0.45 |
| 1tow | MET20 | -0.94 | -0.18 | -1.12 | 0.33 | -0.79 |
| 1tow | ALA33 | -0.65 | 0.25 | -0.4 | -0.07 | -0.47 |
| 1tow | PHE57 | -0.90 | -0.16 | -1.06 | 0.38 | -0.68 |
| 1tow | ALA75 | -1.07 | -0.60 | -1.67 | 0.21 | -1.47 |
| 1tow | ILE104 | -0.31 | 0.03 | -0.28 | -0.11 | -0.39 |
| 1tow | ARG126 | -0.73 | -2.06 | -2.79 | 2.23 | -0.55 |
