Binding information for 1hxw_ligand_6_10661.mol2(FDBF01158)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hxw_ligand_6_10661.mol2 | 1hxw | 1 | -6.22 | [C@H](O)(C[C@@H](NC(=O)C)C)C | 10 |
Structure and binding mode of 1hxw_ligand_6_10661.mol2(FDBF01158)
Important binding residues for 1hxw_ligand_6_10661.mol2(FDBF01158)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hxw | GLY27 | -1.44 | -2.55 | -3.99 | 1.73 | -2.26 |
| 1hxw | ALA28 | -1.10 | 0.58 | -0.52 | 0.00 | -0.52 |
| 1hxw | GLY49 | -0.48 | -1.13 | -1.61 | 0.86 | -0.75 |
| 1hxw | ILE50 | -0.47 | 0.11 | -0.36 | -0.11 | -0.48 |
| 1hxw | LEU23 | -0.50 | 1.31 | 0.81 | -1.15 | -0.34 |
| 1hxw | GLY27 | -0.59 | -0.06 | -0.65 | -1.08 | -1.74 |
| 1hxw | ILE50 | -0.73 | -0.83 | -1.56 | 0.71 | -0.85 |
| 1hxw | VAL82 | -0.32 | 0.05 | -0.27 | -0.06 | -0.34 |
| 1hxw | ILE84 | -0.61 | 0.16 | -0.45 | -0.33 | -0.78 |
