Binding information for 2qu6_ligand_1_2.mol2(FDBF00870)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qu6_ligand_1_2.mol2 | 2qu6 | 1 | -6.78 | c1(ncccc1)C(=O)NC | 10 |
Structure and binding mode of 2qu6_ligand_1_2.mol2(FDBF00870)
Important binding residues for 2qu6_ligand_1_2.mol2(FDBF00870)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qu6 | LEU840 | -1.46 | 2.32 | 0.86 | -1.89 | -1.03 |
| 2qu6 | VAL848 | -0.41 | 0.26 | -0.15 | -0.28 | -0.42 |
| 2qu6 | ALA866 | -0.82 | -0.06 | -0.88 | 0.03 | -0.85 |
| 2qu6 | VAL899 | -0.38 | 0.19 | -0.19 | -0.18 | -0.37 |
| 2qu6 | PHE918 | -2.03 | -0.61 | -2.64 | 0.88 | -1.76 |
| 2qu6 | CYS919 | -0.20 | -2.58 | -2.78 | 1.98 | -0.79 |
| 2qu6 | LYS920 | -0.59 | 0.07 | -0.52 | 0.16 | -0.36 |
| 2qu6 | GLY922 | -0.70 | -0.42 | -1.12 | 0.40 | -0.73 |
| 2qu6 | LEU1035 | -0.91 | -0.35 | -1.26 | 0.49 | -0.78 |
| 2qu6 | PHE1047 | -0.76 | -0.25 | -1.01 | 0.49 | -0.52 |
