Binding information for 1b6k_ligand_1_0.mol2(FDBF02735)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1b6k_ligand_1_0.mol2 | 1b6k | 1 | -5.57 | C1CC(=O)N(C1)C | 7 |
Structure and binding mode of 1b6k_ligand_1_0.mol2(FDBF02735)
Important binding residues for 1b6k_ligand_1_0.mol2(FDBF02735)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1b6k | ALA28 | -0.82 | -1.69 | -2.51 | 0.62 | -1.90 |
| 1b6k | ASP29 | -0.92 | 0.85 | -0.07 | -1.11 | -1.18 |
| 1b6k | ILE47 | -0.39 | 0.36 | -0.03 | -0.33 | -0.35 |
| 1b6k | GLY49 | -0.47 | -0.11 | -0.58 | 0.16 | -0.41 |
