Binding information for 1biw_ligand_2_9.mol2(FDBF00784)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1biw_ligand_2_9.mol2 | 1biw | 0.861111 | -6.11 | C1(=O)N(CCCCC1)CC | 10 |
Structure and binding mode of 1biw_ligand_2_9.mol2(FDBF00784)
Important binding residues for 1biw_ligand_2_9.mol2(FDBF00784)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1biw | VAL163 | -0.59 | -0.13 | -0.72 | 0.15 | -0.57 |
| 1biw | LEU164 | -1.56 | -0.21 | -1.77 | 0.24 | -1.52 |
| 1biw | LEU222 | -1.38 | -1.71 | -3.09 | 0.76 | -2.33 |
| 1biw | TYR223 | -0.83 | -2.58 | -3.41 | 1.83 | -1.58 |
