Binding information for 1vyg_ligand_2_50.mol2(FDBF00076)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vyg_ligand_2_50.mol2 | 1vyg | 1 | -6.09 | C=CCC=C | 5 |
Structure and binding mode of 1vyg_ligand_2_50.mol2(FDBF00076)
Important binding residues for 1vyg_ligand_2_50.mol2(FDBF00076)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vyg | MET20 | -1.01 | 0.17 | -0.84 | 0.18 | -0.65 |
