Binding information for 1biw_ligand_5_681.mol2(FDBF00021)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1biw_ligand_5_681.mol2 | 1biw | 1 | -5.48 | C(=C\C)/CCCO | 7 |
Structure and binding mode of 1biw_ligand_5_681.mol2(FDBF00021)
Important binding residues for 1biw_ligand_5_681.mol2(FDBF00021)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1biw | VAL163 | -0.92 | -0.10 | -1.02 | -0.03 | -1.05 |
| 1biw | LEU164 | -0.65 | -0.11 | -0.76 | 0.18 | -0.58 |
| 1biw | HIS201 | -0.38 | -0.04 | -0.42 | 0.05 | -0.36 |
| 1biw | HIS211 | -0.51 | -0.44 | -0.95 | 0.63 | -0.33 |
