Binding information for 4q6d_ligand_1_1.mol2(FDBF07070)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4q6d_ligand_1_1.mol2 | 4q6d | 1 | -6.32 | N(=N)c1ccccc1 | 8 |
Structure and binding mode of 4q6d_ligand_1_1.mol2(FDBF07070)
Important binding residues for 4q6d_ligand_1_1.mol2(FDBF07070)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4q6d | HIS119 | -0.16 | -0.09 | -0.25 | -0.41 | -0.66 |
| 4q6d | VAL121 | -0.46 | 0.09 | -0.37 | -0.06 | -0.43 |
| 4q6d | PHE131 | -0.59 | -0.08 | -0.67 | 0.19 | -0.48 |
| 4q6d | LEU198 | -1.66 | -0.08 | -1.74 | 0.11 | -1.62 |
| 4q6d | THR199 | -0.42 | 0.09 | -0.33 | 0.01 | -0.32 |
