Binding information for 4eh5_ligand_1_0.mol2(FDBF05564)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4eh5_ligand_1_0.mol2 | 4eh5 | 0.862069 | -6.49 | c1ccccc1COC=O | 10 |
Structure and binding mode of 4eh5_ligand_1_0.mol2(FDBF05564)
Important binding residues for 4eh5_ligand_1_0.mol2(FDBF05564)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4eh5 | VAL38 | -0.57 | -0.16 | -0.73 | -0.13 | -0.87 |
| 4eh5 | ALA51 | -1.08 | -0.37 | -1.45 | 0.36 | -1.09 |
| 4eh5 | VAL52 | -0.40 | 0.20 | -0.2 | -0.20 | -0.40 |
| 4eh5 | LYS53 | -1.59 | -0.49 | -2.08 | 0.53 | -1.55 |
| 4eh5 | LEU75 | -0.48 | -0.61 | -1.09 | 0.71 | -0.38 |
| 4eh5 | ILE84 | -0.63 | 0.69 | 0.06 | -0.46 | -0.39 |
| 4eh5 | LEU104 | -0.93 | 0.01 | -0.92 | 0.02 | -0.90 |
| 4eh5 | VAL105 | -0.58 | -0.06 | -0.64 | -0.04 | -0.68 |
| 4eh5 | THR106 | -1.24 | -0.16 | -1.4 | -0.01 | -1.41 |
