Binding information for 2ko7_ligand_1_0.mol2(FDBF00785)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ko7_ligand_1_0.mol2 | 2ko7 | 0.966667 | -5.60 | N1(C(=O)CCCC1=O)C | 9 |
Structure and binding mode of 2ko7_ligand_1_0.mol2(FDBF00785)
Important binding residues for 2ko7_ligand_1_0.mol2(FDBF00785)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ko7 | VAL66 | -0.31 | -0.08 | -0.39 | 0.07 | -0.31 |
| 2ko7 | ILE67 | -0.45 | -0.01 | -0.46 | -0.05 | -0.51 |
