Binding information for 1k6v_ligand_1_2.mol2(FDBF07659)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1k6v_ligand_1_2.mol2 | 1k6v | 0.647059 | -6.29 | C(=N\C(C)(C)C)\O | 7 |
Structure and binding mode of 1k6v_ligand_1_2.mol2(FDBF07659)
Important binding residues for 1k6v_ligand_1_2.mol2(FDBF07659)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1k6v | ALA28 | -0.85 | -0.55 | -1.4 | 0.26 | -1.14 |
| 1k6v | VAL32 | -0.72 | -0.65 | -1.37 | 0.87 | -0.50 |
| 1k6v | ILE47 | -0.51 | -0.04 | -0.55 | 0.04 | -0.51 |
| 1k6v | GLY49 | -0.62 | -0.43 | -1.05 | 0.29 | -0.75 |
| 1k6v | VAL84 | -0.49 | 0.01 | -0.48 | -0.03 | -0.51 |
| 1k6v | ILE50 | -0.88 | 0.16 | -0.72 | -0.18 | -0.89 |
