Binding information for 4zzy_ligand_frag_0.mol2(FDBF03175)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zzy_ligand_frag_0.mol2 | 4zzy | 1 | -6.24 | C1CC(F)(F)CCC1 | 8 |
Structure and binding mode of 4zzy_ligand_frag_0.mol2(FDBF03175)
Important binding residues for 4zzy_ligand_frag_0.mol2(FDBF03175)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zzy | ILE331 | -0.99 | -0.56 | -1.55 | 0.31 | -1.24 |
| 4zzy | TYR455 | -1.18 | 0.05 | -1.13 | 0.38 | -0.74 |
