Binding information for 1biw_ligand_3_100.mol2(FDBF00026)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1biw_ligand_3_100.mol2 | 1biw | 1 | -6.02 | NC(=O)C(C)C | 6 |
Structure and binding mode of 1biw_ligand_3_100.mol2(FDBF00026)
Important binding residues for 1biw_ligand_3_100.mol2(FDBF00026)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1biw | VAL163 | 0.05 | -2.45 | -2.4 | 0.61 | -1.78 |
| 1biw | LEU164 | -1.02 | -2.59 | -3.61 | 1.11 | -2.49 |
| 1biw | HIS201 | -0.42 | -0.11 | -0.53 | 0.07 | -0.45 |
| 1biw | PRO221 | -0.65 | -2.57 | -3.22 | 2.27 | -0.95 |
