Binding information for 2qu6_ligand_1_7.mol2(FDBF00380)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qu6_ligand_1_7.mol2 | 2qu6 | 1 | -5.93 | [N@H+]1(CCC[C@H]1C)C | 7 |
Structure and binding mode of 2qu6_ligand_1_7.mol2(FDBF00380)
Important binding residues for 2qu6_ligand_1_7.mol2(FDBF00380)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qu6 | GLU885 | -0.61 | -23.29 | -23.9 | 23.34 | -0.55 |
| 2qu6 | LEU889 | -0.25 | -15.61 | -15.86 | 15.50 | -0.36 |
| 2qu6 | ILE892 | -0.25 | -13.31 | -13.56 | 13.21 | -0.35 |
| 2qu6 | ASP1087 | -0.03 | -31.86 | -31.89 | 31.56 | -0.33 |
