Binding information for 2v12_ligand_2_0.mol2(FDBF00168)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v12_ligand_2_0.mol2 | 2v12 | 1 | -5.66 | C(OC)C | 4 |
Structure and binding mode of 2v12_ligand_2_0.mol2(FDBF00168)
Important binding residues for 2v12_ligand_2_0.mol2(FDBF00168)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v12 | GLN19 | -0.84 | -1.05 | -1.89 | 0.41 | -1.48 |
| 2v12 | TYR20 | -0.06 | -1.20 | -1.26 | 0.94 | -0.32 |
| 2v12 | VAL36 | -0.69 | 0.01 | -0.68 | -0.07 | -0.75 |
| 2v12 | ALA229 | -0.99 | -0.17 | -1.16 | 0.46 | -0.70 |
| 2v12 | SER230 | -0.69 | -0.44 | -1.13 | 0.68 | -0.45 |
