Binding information for 4ffs_ligand_4_20.mol2(FDBF01022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ffs_ligand_4_20.mol2 | 4ffs | 0.923077 | -6.06 | C(C)CCSC | 6 |
Structure and binding mode of 4ffs_ligand_4_20.mol2(FDBF01022)
Important binding residues for 4ffs_ligand_4_20.mol2(FDBF01022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ffs | MET10 | -0.84 | -0.31 | -1.15 | 0.45 | -0.69 |
| 4ffs | ILE52 | -0.75 | -0.16 | -0.91 | -0.08 | -0.99 |
| 4ffs | PHE153 | -0.83 | -0.02 | -0.85 | 0.21 | -0.64 |
| 4ffs | PHE208 | -1.06 | -0.09 | -1.15 | 0.26 | -0.90 |
