Binding information for 3bym_ligand_4_55.mol2(FDBF02614)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bym_ligand_4_55.mol2 | 3bym | 1 | -5.94 | O(C)c1cc(N)cc(OC)c1OC | 13 |
Structure and binding mode of 3bym_ligand_4_55.mol2(FDBF02614)
Important binding residues for 3bym_ligand_4_55.mol2(FDBF02614)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bym | LEU251 | -2.28 | -0.18 | -2.46 | 0.27 | -2.18 |
| 3bym | MET319 | -0.35 | -1.94 | -2.29 | 1.33 | -0.96 |
| 3bym | ASN321 | -0.40 | 0.18 | -0.22 | -0.25 | -0.48 |
| 3bym | GLY322 | -1.11 | -1.07 | -2.18 | 0.91 | -1.27 |
| 3bym | LEU371 | -0.66 | 0.11 | -0.55 | -0.15 | -0.70 |
