Binding information for 1usi_ligand_1_1.mol2(FDBF00023)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1usi_ligand_1_1.mol2 | 1usi | 1 | -7.29 | c1(ccccc1)C | 7 |
Structure and binding mode of 1usi_ligand_1_1.mol2(FDBF00023)
Important binding residues for 1usi_ligand_1_1.mol2(FDBF00023)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1usi | TRP18 | -1.58 | -0.12 | -1.7 | 0.85 | -0.84 |
| 1usi | LEU77 | -1.08 | -0.33 | -1.41 | 0.67 | -0.74 |
| 1usi | TYR150 | -0.60 | -0.18 | -0.78 | 0.30 | -0.48 |
| 1usi | TYR276 | -1.44 | -0.26 | -1.7 | 0.71 | -0.98 |
