Binding information for 2qg0_ligand_1_0.mol2(FDBF07110)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qg0_ligand_1_0.mol2 | 2qg0 | 1 | -6.46 | c1(nc(nc(c1)C)N)C | 9 |
Structure and binding mode of 2qg0_ligand_1_0.mol2(FDBF07110)
Important binding residues for 2qg0_ligand_1_0.mol2(FDBF07110)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qg0 | ASN51 | -1.33 | -0.55 | -1.88 | 0.56 | -1.32 |
| 2qg0 | SER52 | -0.66 | 0.72 | 0.06 | -0.39 | -0.33 |
| 2qg0 | ALA55 | -0.72 | -0.35 | -1.07 | 0.09 | -0.97 |
| 2qg0 | ILE96 | -0.52 | -0.04 | -0.56 | 0.07 | -0.49 |
| 2qg0 | MET98 | -1.68 | -0.40 | -2.08 | 0.35 | -1.73 |
| 2qg0 | LEU107 | -0.43 | 0.02 | -0.41 | -0.04 | -0.45 |
| 2qg0 | PHE138 | -0.36 | -0.07 | -0.43 | 0.12 | -0.31 |
| 2qg0 | THR184 | -1.45 | -1.29 | -2.74 | 1.80 | -0.94 |
