Binding information for 1biw_ligand_4_289.mol2(FDBF01784)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1biw_ligand_4_289.mol2 | 1biw | 1 | -6.69 | NC(=O)[C@@H](C)CC(C)C | 9 |
Structure and binding mode of 1biw_ligand_4_289.mol2(FDBF01784)
Important binding residues for 1biw_ligand_4_289.mol2(FDBF01784)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1biw | VAL163 | -0.02 | -2.44 | -2.46 | 0.58 | -1.88 |
| 1biw | LEU164 | -1.48 | -2.59 | -4.07 | 1.17 | -2.90 |
| 1biw | VAL198 | -0.69 | -0.10 | -0.79 | 0.20 | -0.59 |
| 1biw | HIS201 | -1.12 | -0.10 | -1.22 | 0.14 | -1.08 |
| 1biw | PRO221 | -0.70 | -2.50 | -3.2 | 2.77 | -0.42 |
| 1biw | LEU222 | -0.89 | -0.02 | -0.91 | 0.44 | -0.47 |
| 1biw | TYR223 | -0.93 | 0.01 | -0.92 | 0.11 | -0.82 |
