Binding information for 3ftw_ligand_1_0.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ftw_ligand_1_0.mol2 | 3ftw | 1 | -6.75 | c1ccccc1N | 7 |
Structure and binding mode of 3ftw_ligand_1_0.mol2(FDBF00046)
Important binding residues for 3ftw_ligand_1_0.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ftw | GLN136 | -1.30 | -1.19 | -2.49 | 1.26 | -1.24 |
| 3ftw | ALA137 | -1.07 | -0.32 | -1.39 | 0.30 | -1.09 |
| 3ftw | PHE314 | -1.02 | -0.04 | -1.06 | 0.57 | -0.50 |
| 3ftw | PRO374 | -0.63 | -2.39 | -3.02 | 1.19 | -1.83 |
| 3ftw | TYR378 | -1.54 | -0.46 | -2 | 0.46 | -1.54 |
