Binding information for 1usk_ligand_1_1.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1usk_ligand_1_1.mol2 | 1usk | 1 | -6.54 | CC(C)C | 4 |
Structure and binding mode of 1usk_ligand_1_1.mol2(FDBF00012)
Important binding residues for 1usk_ligand_1_1.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1usk | TRP18 | -1.63 | 0.00 | -1.63 | 0.30 | -1.33 |
| 1usk | LEU77 | -0.94 | -0.04 | -0.98 | 0.51 | -0.46 |
| 1usk | TYR150 | -0.61 | -0.01 | -0.62 | 0.17 | -0.45 |
| 1usk | GLY227 | -0.37 | 0.01 | -0.36 | 0.02 | -0.34 |
| 1usk | TYR276 | -1.18 | -0.07 | -1.25 | 0.41 | -0.85 |
