Binding information for 1vyg_ligand_4_680.mol2(FDBF00083)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vyg_ligand_4_680.mol2 | 1vyg | 1 | -6.70 | C/C=C\C/C=C\C | 7 |
Structure and binding mode of 1vyg_ligand_4_680.mol2(FDBF00083)
Important binding residues for 1vyg_ligand_4_680.mol2(FDBF00083)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vyg | MET20 | -1.12 | 0.23 | -0.89 | 0.21 | -0.69 |
| 1vyg | ARG30 | -0.36 | -0.00 | -0.36 | 0.06 | -0.31 |
| 1vyg | ILE32 | -0.50 | -0.06 | -0.56 | -0.08 | -0.64 |
| 1vyg | VAL36 | -0.36 | -0.02 | -0.38 | 0.02 | -0.36 |
| 1vyg | PHE57 | -0.61 | 0.00 | -0.61 | 0.14 | -0.47 |
