Binding information for 1vj9_ligand_4_55.mol2(FDBF06535)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vj9_ligand_4_55.mol2 | 1vj9 | 0.863636 | -5.00 | C(CNC=O)OC | 7 |
Structure and binding mode of 1vj9_ligand_4_55.mol2(FDBF06535)
Important binding residues for 1vj9_ligand_4_55.mol2(FDBF06535)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vj9 | HIS99 | -1.28 | 0.63 | -0.65 | 0.03 | -0.61 |
| 1vj9 | TRP215 | -0.63 | -2.15 | -2.78 | 1.10 | -1.68 |
| 1vj9 | GLY216 | -0.50 | -0.62 | -1.12 | 0.19 | -0.94 |
