Binding information for 3ftv_ligand_1_0.mol2(FDBF00046)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ftv_ligand_1_0.mol2 | 3ftv | 1 | -6.74 | c1ccccc1N | 7 |
Structure and binding mode of 3ftv_ligand_1_0.mol2(FDBF00046)
Important binding residues for 3ftv_ligand_1_0.mol2(FDBF00046)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ftv | GLN136 | -1.44 | -1.16 | -2.6 | 1.18 | -1.42 |
| 3ftv | ALA137 | -1.09 | -0.30 | -1.39 | 0.33 | -1.06 |
| 3ftv | PHE314 | -1.10 | -0.04 | -1.14 | 0.41 | -0.74 |
| 3ftv | PRO374 | -0.68 | -2.11 | -2.79 | 1.12 | -1.68 |
| 3ftv | TYR378 | -1.55 | -0.38 | -1.93 | 0.42 | -1.51 |
