Binding information for 2qg0_ligand_frag_0.mol2(FDBF05336)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qg0_ligand_frag_0.mol2 | 2qg0 | 1 | -6.11 | c1(nc(ncc1)N)C | 8 |
Structure and binding mode of 2qg0_ligand_frag_0.mol2(FDBF05336)
Important binding residues for 2qg0_ligand_frag_0.mol2(FDBF05336)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qg0 | ASN51 | -1.30 | -0.53 | -1.83 | 0.50 | -1.34 |
| 2qg0 | ALA55 | -0.48 | -0.33 | -0.81 | 0.06 | -0.75 |
| 2qg0 | MET98 | -1.37 | -0.40 | -1.77 | 0.33 | -1.44 |
| 2qg0 | LEU107 | -0.42 | 0.02 | -0.4 | -0.04 | -0.44 |
| 2qg0 | PHE138 | -0.36 | -0.07 | -0.43 | 0.12 | -0.31 |
| 2qg0 | THR184 | -1.35 | -1.25 | -2.6 | 1.71 | -0.89 |
