Binding information for 4q6e_ligand_2_7.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4q6e_ligand_2_7.mol2 | 4q6e | 1 | -6.35 | CNc1ccccc1 | 8 |
Structure and binding mode of 4q6e_ligand_2_7.mol2(FDBF00049)
Important binding residues for 4q6e_ligand_2_7.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4q6e | HIS119 | -0.16 | 0.07 | -0.09 | -0.60 | -0.69 |
| 4q6e | VAL121 | -0.51 | -0.02 | -0.53 | -0.05 | -0.58 |
| 4q6e | PHE131 | -0.60 | -0.01 | -0.61 | 0.13 | -0.48 |
| 4q6e | LEU198 | -1.71 | -0.40 | -2.11 | 0.17 | -1.94 |
| 4q6e | THR199 | -0.45 | 0.04 | -0.41 | 0.07 | -0.34 |
