Binding information for 1vyg_ligand_2_33.mol2(FDBF00076)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vyg_ligand_2_33.mol2 | 1vyg | 1 | -6.00 | C(=C)CC=C | 5 |
Structure and binding mode of 1vyg_ligand_2_33.mol2(FDBF00076)
Important binding residues for 1vyg_ligand_2_33.mol2(FDBF00076)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vyg | MET20 | -0.53 | -0.05 | -0.58 | 0.09 | -0.49 |
| 1vyg | VAL118 | -0.62 | -0.05 | -0.67 | -0.03 | -0.71 |
