Binding information for 2yiv_ligand_2_0.mol2(FDBF03589)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yiv_ligand_2_0.mol2 | 2yiv | 0.5 | -5.53 | CCN=C | 4 |
Structure and binding mode of 2yiv_ligand_2_0.mol2(FDBF03589)
Important binding residues for 2yiv_ligand_2_0.mol2(FDBF03589)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2yiv | LEU82 | -0.56 | 0.75 | 0.19 | -0.58 | -0.39 |
| 2yiv | VAL565 | -0.86 | -0.06 | -0.92 | -0.17 | -1.09 |
| 2yiv | ILE580 | -0.44 | 0.06 | -0.38 | -0.09 | -0.47 |
| 2yiv | ILE586 | -0.33 | 0.02 | -0.31 | -0.02 | -0.33 |
| 2yiv | PHE608 | -0.84 | -0.08 | -0.92 | 0.20 | -0.73 |
