Binding information for 5afv_ligand_4_4.mol2(FDBF02594)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5afv_ligand_4_4.mol2 | 5afv | 0.361905 | -6.52 | C(N1CN(NC)C=N1)c1ccccc1 | 14 |
Structure and binding mode of 5afv_ligand_4_4.mol2(FDBF02594)
Important binding residues for 5afv_ligand_4_4.mol2(FDBF02594)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5afv | TYR354 | -1.53 | -0.63 | -2.16 | 1.37 | -0.79 |
| 5afv | TRP420 | -2.20 | 1.10 | -1.1 | 0.53 | -0.57 |
| 5afv | ARG444 | -0.26 | -0.73 | -0.99 | 0.48 | -0.51 |
