Binding information for 2vj6_ligand_2_56.mol2(FDBF00729)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vj6_ligand_2_56.mol2 | 2vj6 | 1 | -5.80 | C(O)C[NH2+]CC | 6 |
Structure and binding mode of 2vj6_ligand_2_56.mol2(FDBF00729)
Important binding residues for 2vj6_ligand_2_56.mol2(FDBF00729)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vj6 | ASP93 | 1.10 | -45.56 | -44.46 | 41.46 | -3.00 |
| 2vj6 | GLY95 | -1.02 | -1.48 | -2.5 | 1.57 | -0.93 |
| 2vj6 | SER96 | -0.55 | 1.54 | 0.99 | -1.78 | -0.79 |
| 2vj6 | TYR132 | -0.84 | 2.93 | 2.09 | -2.51 | -0.42 |
| 2vj6 | ASP289 | 0.58 | -50.79 | -50.21 | 46.44 | -3.76 |
| 2vj6 | THR292 | -0.74 | 0.44 | -0.3 | -0.41 | -0.71 |
| 2vj6 | VAL393 | -0.36 | -17.67 | -18.03 | 17.55 | -0.48 |
