Binding information for 1vyg_ligand_1_8.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vyg_ligand_1_8.mol2 | 1vyg | 1 | -5.80 | C(=C)C | 3 |
Structure and binding mode of 1vyg_ligand_1_8.mol2(FDBF00022)
Important binding residues for 1vyg_ligand_1_8.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vyg | MET20 | -0.38 | -0.07 | -0.45 | 0.12 | -0.34 |
| 1vyg | THR29 | -0.56 | 0.15 | -0.41 | 0.09 | -0.32 |
| 1vyg | ILE32 | -0.36 | -0.07 | -0.43 | -0.07 | -0.49 |
| 1vyg | GLY33 | -0.58 | -0.07 | -0.65 | 0.08 | -0.56 |
| 1vyg | PHE57 | -0.49 | 0.01 | -0.48 | 0.10 | -0.38 |
