Binding information for 2qfo_ligand_frag_0.mol2(FDBF05336)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qfo_ligand_frag_0.mol2 | 2qfo | 1 | -6.18 | c1(ccnc(n1)N)C | 8 |
Structure and binding mode of 2qfo_ligand_frag_0.mol2(FDBF05336)
Important binding residues for 2qfo_ligand_frag_0.mol2(FDBF05336)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qfo | ASN51 | -1.16 | -0.11 | -1.27 | 0.17 | -1.10 |
| 2qfo | ALA55 | -0.63 | -0.34 | -0.97 | 0.07 | -0.91 |
| 2qfo | MET98 | -1.45 | -0.35 | -1.8 | 0.24 | -1.56 |
| 2qfo | THR184 | -1.41 | -0.66 | -2.07 | 0.89 | -1.18 |
