Binding information for 1biw_ligand_1_0.mol2(FDBF00784)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1biw_ligand_1_0.mol2 | 1biw | 0.861111 | -5.91 | C1(=O)N(CCCCC1)C | 9 |
Structure and binding mode of 1biw_ligand_1_0.mol2(FDBF00784)
Important binding residues for 1biw_ligand_1_0.mol2(FDBF00784)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1biw | VAL163 | -0.58 | -0.12 | -0.7 | 0.15 | -0.55 |
| 1biw | LEU164 | -1.44 | -0.18 | -1.62 | 0.24 | -1.38 |
| 1biw | LEU222 | -1.31 | -1.71 | -3.02 | 0.77 | -2.25 |
| 1biw | TYR223 | -0.84 | -2.56 | -3.4 | 1.46 | -1.94 |
