Binding information for 2vj6_ligand_2_38.mol2(FDBF00018)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vj6_ligand_2_38.mol2 | 2vj6 | 1 | -5.72 | C(C)CO | 4 |
Structure and binding mode of 2vj6_ligand_2_38.mol2(FDBF00018)
Important binding residues for 2vj6_ligand_2_38.mol2(FDBF00018)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vj6 | GLY95 | -0.50 | 1.07 | 0.57 | -1.36 | -0.78 |
| 2vj6 | SER96 | -0.45 | 0.39 | -0.06 | -0.38 | -0.44 |
| 2vj6 | TYR132 | -0.81 | -0.62 | -1.43 | 1.07 | -0.37 |
| 2vj6 | ILE179 | -0.32 | 0.09 | -0.23 | -0.20 | -0.43 |
| 2vj6 | GLY291 | -0.86 | 0.27 | -0.59 | -0.12 | -0.71 |
