Binding information for 1vyg_ligand_2_63.mol2(FDBF00076)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vyg_ligand_2_63.mol2 | 1vyg | 1 | -6.14 | C=CCC=C | 5 |
Structure and binding mode of 1vyg_ligand_2_63.mol2(FDBF00076)
Important binding residues for 1vyg_ligand_2_63.mol2(FDBF00076)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vyg | MET20 | -0.79 | 0.19 | -0.6 | 0.16 | -0.44 |
| 1vyg | ILE32 | -0.39 | -0.04 | -0.43 | -0.08 | -0.52 |
| 1vyg | PHE57 | -0.54 | -0.01 | -0.55 | 0.13 | -0.42 |
