Binding information for 5e8f_ligand_1_17.mol2(FDBF00139)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5e8f_ligand_1_17.mol2 | 5e8f | 1 | -5.33 | C(=O)NCC(=O)OC | 8 |
Structure and binding mode of 5e8f_ligand_1_17.mol2(FDBF00139)
Important binding residues for 5e8f_ligand_1_17.mol2(FDBF00139)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5e8f | LEU54 | -1.47 | -0.41 | -1.88 | 0.46 | -1.41 |
| 5e8f | VAL59 | -0.51 | -0.01 | -0.52 | -0.04 | -0.55 |
| 5e8f | ILE109 | -0.41 | -0.12 | -0.53 | -0.01 | -0.54 |
| 5e8f | ALA111 | -0.56 | -0.08 | -0.64 | 0.05 | -0.59 |
| 5e8f | MET117 | -0.87 | 0.27 | -0.6 | -0.16 | -0.76 |
