Binding information for 1vyg_ligand_5_1266.mol2(FDBF00084)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vyg_ligand_5_1266.mol2 | 1vyg | 1 | -6.83 | CC/C=C\C/C=C\C | 8 |
Structure and binding mode of 1vyg_ligand_5_1266.mol2(FDBF00084)
Important binding residues for 1vyg_ligand_5_1266.mol2(FDBF00084)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vyg | MET20 | -1.13 | 0.23 | -0.9 | 0.21 | -0.69 |
| 1vyg | ARG30 | -0.37 | -0.02 | -0.39 | 0.08 | -0.31 |
| 1vyg | ILE32 | -0.53 | -0.06 | -0.59 | -0.08 | -0.67 |
| 1vyg | VAL36 | -0.46 | -0.01 | -0.47 | 0.03 | -0.45 |
| 1vyg | PRO38 | -0.44 | 0.02 | -0.42 | 0.04 | -0.38 |
| 1vyg | PHE57 | -0.68 | 0.00 | -0.68 | 0.15 | -0.52 |
