Binding information for 3e8n_ligand_2_25.mol2(FDBF07467)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3e8n_ligand_2_25.mol2 | 3e8n | 0.6 | -5.63 | C(O)CC1CC1 | 6 |
Structure and binding mode of 3e8n_ligand_2_25.mol2(FDBF07467)
Important binding residues for 3e8n_ligand_2_25.mol2(FDBF07467)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3e8n | ILE99 | -0.78 | -0.02 | -0.8 | -0.04 | -0.83 |
| 3e8n | ASP208 | -0.25 | 0.89 | 0.64 | -0.97 | -0.33 |
| 3e8n | LEU215 | -0.52 | -0.08 | -0.6 | 0.07 | -0.52 |
