Binding information for 1hyo_ligand_frag_0.mol2(FDBF00004)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1hyo_ligand_frag_0.mol2 | 1hyo | 1 | -5.95 | O=C(O)C | 4 |
Structure and binding mode of 1hyo_ligand_frag_0.mol2(FDBF00004)
Important binding residues for 1hyo_ligand_frag_0.mol2(FDBF00004)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1hyo | TYR128 | -0.50 | -3.16 | -3.66 | 1.72 | -1.94 |
| 1hyo | HIS133 | -0.67 | -25.51 | -26.18 | 25.35 | -0.84 |
| 1hyo | ASP233 | -0.11 | 5.79 | 5.68 | -6.32 | -0.64 |
| 1hyo | SER348 | -0.08 | 1.13 | 1.05 | -1.36 | -0.32 |
| 1hyo | GLY349 | -0.65 | -7.90 | -8.55 | 4.47 | -4.08 |
| 1hyo | THR350 | 0.11 | -11.46 | -11.35 | 6.99 | -4.36 |
