Binding information for 2vj9_ligand_3_86.mol2(FDBF00143)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vj9_ligand_3_86.mol2 | 2vj9 | 1 | -7.24 | C(CNC=O)c1ccccc1 | 11 |
Structure and binding mode of 2vj9_ligand_3_86.mol2(FDBF00143)
Important binding residues for 2vj9_ligand_3_86.mol2(FDBF00143)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vj9 | LEU91 | -0.72 | 0.79 | 0.07 | -0.75 | -0.68 |
| 2vj9 | TYR132 | -1.79 | -1.32 | -3.11 | 1.20 | -1.91 |
| 2vj9 | THR133 | -0.74 | -2.27 | -3.01 | 1.47 | -1.54 |
| 2vj9 | GLN134 | -1.41 | -1.75 | -3.16 | 1.68 | -1.48 |
| 2vj9 | PHE169 | -1.35 | -0.43 | -1.78 | 1.11 | -0.66 |
| 2vj9 | ILE179 | -0.74 | 0.06 | -0.68 | -0.16 | -0.84 |
| 2vj9 | GLY291 | -0.85 | -2.11 | -2.96 | 1.88 | -1.07 |
| 2vj9 | THR292 | -0.82 | 0.06 | -0.76 | 0.35 | -0.41 |
