Binding information for 1vyf_ligand_4_966.mol2(FDBF00085)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1vyf_ligand_4_966.mol2 | 1vyf | 1 | -6.25 | C(CCC)C=C | 6 |
Structure and binding mode of 1vyf_ligand_4_966.mol2(FDBF00085)
Important binding residues for 1vyf_ligand_4_966.mol2(FDBF00085)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1vyf | MET20 | -0.52 | -0.09 | -0.61 | 0.03 | -0.58 |
| 1vyf | THR29 | -0.68 | -0.01 | -0.69 | 0.27 | -0.42 |
| 1vyf | ILE32 | -0.50 | 0.02 | -0.48 | -0.02 | -0.50 |
| 1vyf | VAL36 | -0.34 | 0.01 | -0.33 | -0.00 | -0.33 |
| 1vyf | PHE57 | -0.89 | -0.02 | -0.91 | 0.17 | -0.74 |
