Binding information for 3hhu_ligand_2_0.mol2(FDBF05618)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3hhu_ligand_2_0.mol2 | 3hhu | 0.727273 | -5.36 | CCOC(=O)NC | 7 |
Structure and binding mode of 3hhu_ligand_2_0.mol2(FDBF05618)
Important binding residues for 3hhu_ligand_2_0.mol2(FDBF05618)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3hhu | THR109 | 0.75 | -2.26 | -1.51 | 0.64 | -0.87 |
| 3hhu | ILE110 | -1.01 | -2.00 | -3.01 | 0.81 | -2.20 |
| 3hhu | GLY135 | -0.88 | -1.10 | -1.98 | 0.95 | -1.03 |
