Binding information for 2ko7_ligand_2_0.mol2(FDBF00785)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ko7_ligand_2_0.mol2 | 2ko7 | 0.935484 | -5.81 | CC1CC(=O)N(C(=O)C1)C | 10 |
Structure and binding mode of 2ko7_ligand_2_0.mol2(FDBF00785)
Important binding residues for 2ko7_ligand_2_0.mol2(FDBF00785)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ko7 | VAL66 | -0.31 | -0.09 | -0.4 | 0.08 | -0.32 |
| 2ko7 | ILE67 | -0.46 | -0.01 | -0.47 | -0.05 | -0.52 |
