Binding information for 5afv_ligand_2_8.mol2(FDBF00268)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5afv_ligand_2_8.mol2 | 5afv | 0.448276 | -6.35 | C([n+]1c[nH]cn1)c1ccccc1 | 12 |
Structure and binding mode of 5afv_ligand_2_8.mol2(FDBF00268)
Important binding residues for 5afv_ligand_2_8.mol2(FDBF00268)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5afv | TYR354 | -0.76 | 0.30 | -0.46 | 0.10 | -0.36 |
| 5afv | TRP420 | -2.10 | 0.70 | -1.4 | 0.30 | -1.10 |
