Binding information for 1bsk_ligand_5_221.mol2(FDBF06098)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bsk_ligand_5_221.mol2 | 1bsk | 1 | -6.16 | CCNC(=O)[C@H](C)O | 8 |
Structure and binding mode of 1bsk_ligand_5_221.mol2(FDBF06098)
Important binding residues for 1bsk_ligand_5_221.mol2(FDBF06098)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bsk | GLY43 | -0.48 | -2.64 | -3.12 | 1.15 | -1.96 |
| 1bsk | ILE44 | -1.10 | -2.34 | -3.44 | 0.91 | -2.54 |
| 1bsk | GLY89 | -1.12 | -1.72 | -2.84 | 1.79 | -1.05 |
| 1bsk | CYS90 | -0.90 | -0.25 | -1.15 | 0.45 | -0.71 |
| 1bsk | LEU91 | -0.58 | -0.52 | -1.1 | 0.48 | -0.62 |
| 1bsk | HIS132 | -0.86 | -0.32 | -1.18 | 0.09 | -1.08 |
