Binding information for 2qu6_ligand_1_3.mol2(FDBF00867)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qu6_ligand_1_3.mol2 | 2qu6 | 1 | -6.19 | c1nccc(c1)O | 7 |
Structure and binding mode of 2qu6_ligand_1_3.mol2(FDBF00867)
Important binding residues for 2qu6_ligand_1_3.mol2(FDBF00867)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qu6 | LEU840 | -0.71 | 0.27 | -0.44 | 0.06 | -0.38 |
| 2qu6 | VAL848 | -0.04 | -0.09 | -0.13 | -0.24 | -0.38 |
| 2qu6 | ALA866 | -0.87 | -0.14 | -1.01 | -0.02 | -1.02 |
| 2qu6 | VAL899 | -0.39 | 0.14 | -0.25 | -0.17 | -0.42 |
| 2qu6 | PHE918 | -1.08 | -0.75 | -1.83 | 0.60 | -1.23 |
| 2qu6 | CYS919 | -1.02 | -1.47 | -2.49 | 1.01 | -1.48 |
| 2qu6 | LEU1035 | -0.73 | -1.02 | -1.75 | 0.96 | -0.80 |
