Binding information for 1hxw_ligand_3_660.mol2(FDBF04049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hxw_ligand_3_660.mol2 | 1hxw | 1 | -6.20 | C(C)(C)CNC(=O)N(C)C | 10 |
Structure and binding mode of 1hxw_ligand_3_660.mol2(FDBF04049)
Important binding residues for 1hxw_ligand_3_660.mol2(FDBF04049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hxw | ALA28 | -1.04 | -1.59 | -2.63 | 0.57 | -2.06 |
| 1hxw | ASP29 | -1.59 | 1.77 | 0.18 | -0.88 | -0.69 |
| 1hxw | ILE47 | -0.92 | 0.31 | -0.61 | -0.39 | -1.00 |
| 1hxw | GLY49 | -0.46 | -0.16 | -0.62 | 0.29 | -0.33 |
| 1hxw | ILE84 | -0.53 | 0.59 | 0.06 | -0.41 | -0.35 |
| 1hxw | ARG8 | -0.66 | 0.15 | -0.51 | 0.01 | -0.49 |
| 1hxw | ILE50 | -1.02 | 0.20 | -0.82 | -0.23 | -1.05 |
