Binding information for 2qg2_ligand_frag_4.mol2(FDBF05336)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qg2_ligand_frag_4.mol2 | 2qg2 | 1 | -6.14 | c1cc(nc(n1)N)C | 8 |
Structure and binding mode of 2qg2_ligand_frag_4.mol2(FDBF05336)
Important binding residues for 2qg2_ligand_frag_4.mol2(FDBF05336)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qg2 | ASN51 | -0.91 | -0.68 | -1.59 | 0.38 | -1.20 |
| 2qg2 | ALA55 | -0.67 | -0.32 | -0.99 | 0.08 | -0.92 |
| 2qg2 | ILE96 | -0.46 | -0.00 | -0.46 | 0.08 | -0.39 |
| 2qg2 | MET98 | -1.44 | -0.06 | -1.5 | 0.08 | -1.42 |
| 2qg2 | THR184 | -1.18 | -0.55 | -1.73 | 0.80 | -0.93 |
