Binding information for 1vj9_ligand_5_166.mol2(FDBF01215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vj9_ligand_5_166.mol2 | 1vj9 | 1 | -5.22 | C(CNC(=O)C)OC | 8 |
Structure and binding mode of 1vj9_ligand_5_166.mol2(FDBF01215)
Important binding residues for 1vj9_ligand_5_166.mol2(FDBF01215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vj9 | HIS99 | -1.38 | 0.55 | -0.83 | 0.22 | -0.61 |
| 1vj9 | TRP215 | -0.76 | -2.23 | -2.99 | 1.19 | -1.80 |
| 1vj9 | GLY216 | -0.69 | -0.65 | -1.34 | 0.31 | -1.03 |
