Binding information for 5afv_ligand_1_4.mol2(FDBF00265)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5afv_ligand_1_4.mol2 | 5afv | 0.558824 | -5.48 | C[n+]1c[nH]cn1 | 6 |
Structure and binding mode of 5afv_ligand_1_4.mol2(FDBF00265)
Important binding residues for 5afv_ligand_1_4.mol2(FDBF00265)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5afv | TRP420 | -1.67 | 0.70 | -0.97 | 0.08 | -0.89 |
| 5afv | TRP423 | -0.50 | -0.54 | -1.04 | 0.73 | -0.31 |
