Binding information for 2vvs_ligand_1_3.mol2(FDBF05801)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vvs_ligand_1_3.mol2 | 2vvs | 0.935484 | -5.91 | OC(=O)Nc1ccccc1 | 10 |
Structure and binding mode of 2vvs_ligand_1_3.mol2(FDBF05801)
Important binding residues for 2vvs_ligand_1_3.mol2(FDBF05801)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vvs | LYS166 | -0.03 | -20.53 | -20.56 | 20.22 | -0.33 |
| 2vvs | TRP286 | -1.20 | 13.91 | 12.71 | -13.55 | -0.85 |
| 2vvs | VAL314 | -0.96 | -1.41 | -2.37 | 1.31 | -1.06 |
