Binding information for 2yiv_ligand_1_0.mol2(FDBF03589)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yiv_ligand_1_0.mol2 | 2yiv | 1 | -5.15 | C=NC | 3 |
Structure and binding mode of 2yiv_ligand_1_0.mol2(FDBF03589)
Important binding residues for 2yiv_ligand_1_0.mol2(FDBF03589)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yiv | LEU82 | -0.48 | 0.77 | 0.29 | -0.63 | -0.34 |
| 2yiv | VAL565 | -0.75 | -0.08 | -0.83 | -0.17 | -1.00 |
| 2yiv | ILE580 | -0.47 | 0.07 | -0.4 | -0.11 | -0.51 |
| 2yiv | PHE608 | -0.42 | -0.05 | -0.47 | 0.09 | -0.38 |
