Binding information for 5afv_ligand_3_8.mol2(FDBF02596)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5afv_ligand_3_8.mol2 | 5afv | 0.491803 | -5.65 | CN1CN(NC)C=N1 | 8 |
Structure and binding mode of 5afv_ligand_3_8.mol2(FDBF02596)
Important binding residues for 5afv_ligand_3_8.mol2(FDBF02596)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5afv | TYR354 | -1.42 | -0.67 | -2.09 | 1.32 | -0.78 |
| 5afv | TRP420 | -1.78 | 1.13 | -0.65 | 0.22 | -0.43 |
| 5afv | PHE435 | -0.49 | -0.24 | -0.73 | 0.42 | -0.31 |
| 5afv | ARG444 | -0.24 | -0.71 | -0.95 | 0.51 | -0.44 |
