Binding information for 5afv_ligand_2_9.mol2(FDBF02597)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5afv_ligand_2_9.mol2 | 5afv | 0.52459 | -5.62 | CN1CN(N)C=N1 | 7 |
Structure and binding mode of 5afv_ligand_2_9.mol2(FDBF02597)
Important binding residues for 5afv_ligand_2_9.mol2(FDBF02597)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5afv | TRP420 | -1.76 | 0.93 | -0.83 | 0.34 | -0.49 |
| 5afv | ARG444 | -0.24 | -0.51 | -0.75 | 0.38 | -0.36 |
