Binding information for 2qu5_ligand_1_1.mol2(FDBF00360)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qu5_ligand_1_1.mol2 | 2qu5 | 0.814815 | -6.22 | c1cnccc1O | 7 |
Structure and binding mode of 2qu5_ligand_1_1.mol2(FDBF00360)
Important binding residues for 2qu5_ligand_1_1.mol2(FDBF00360)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qu5 | LEU840 | -0.71 | 0.17 | -0.54 | -0.08 | -0.62 |
| 2qu5 | VAL848 | -0.41 | 0.14 | -0.27 | -0.15 | -0.42 |
| 2qu5 | ALA866 | -0.75 | 0.09 | -0.66 | -0.28 | -0.93 |
| 2qu5 | VAL899 | -0.39 | -0.00 | -0.39 | -0.04 | -0.43 |
| 2qu5 | GLU917 | -0.49 | -0.17 | -0.66 | 0.32 | -0.34 |
| 2qu5 | PHE918 | -1.18 | -0.50 | -1.68 | 0.45 | -1.23 |
| 2qu5 | CYS919 | -0.73 | -1.67 | -2.4 | 0.98 | -1.42 |
| 2qu5 | LEU1035 | -0.96 | -1.06 | -2.02 | 1.05 | -0.98 |
| 2qu5 | PHE1047 | -0.79 | 0.13 | -0.66 | 0.20 | -0.46 |
