Binding information for 4jhq_ligand_3_394.mol2(FDBF00017)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jhq_ligand_3_394.mol2 | 4jhq | 1 | -6.37 | C/C=C/C | 4 |
Structure and binding mode of 4jhq_ligand_3_394.mol2(FDBF00017)
Important binding residues for 4jhq_ligand_3_394.mol2(FDBF00017)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4jhq | THR35 | -0.51 | 0.05 | -0.46 | 0.15 | -0.31 |
| 4jhq | THR38 | -0.93 | -0.16 | -1.09 | 0.20 | -0.89 |
| 4jhq | TRP70 | -1.85 | 0.24 | -1.61 | 0.45 | -1.16 |
| 4jhq | LEU99 | -0.58 | 0.02 | -0.56 | -0.10 | -0.65 |
