Binding information for 4l7g_ligand_1_1.mol2(FDBF07607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l7g_ligand_1_1.mol2 | 4l7g | 0.516667 | -6.87 | c1(cncnc1)c1ccccc1 | 12 |
Structure and binding mode of 4l7g_ligand_1_1.mol2(FDBF07607)
Important binding residues for 4l7g_ligand_1_1.mol2(FDBF07607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l7g | GLN12 | -1.07 | -0.12 | -1.19 | 0.45 | -0.74 |
| 4l7g | GLY13 | -0.67 | -0.36 | -1.03 | 0.22 | -0.81 |
| 4l7g | LEU30 | -1.17 | -0.27 | -1.44 | 0.44 | -1.00 |
| 4l7g | TYR71 | -0.58 | -0.19 | -0.77 | 0.36 | -0.42 |
| 4l7g | PHE108 | -0.89 | -0.38 | -1.27 | 0.87 | -0.41 |
| 4l7g | TRP115 | -0.97 | -0.05 | -1.02 | 0.58 | -0.44 |
| 4l7g | ILE118 | -0.43 | -0.19 | -0.62 | 0.27 | -0.35 |
| 4l7g | THR231 | -0.47 | -0.16 | -0.63 | 0.32 | -0.31 |
