Binding information for 4wn5_ligand_4_2115.mol2(FDBF00116)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wn5_ligand_4_2115.mol2 | 4wn5 | 1 | -6.55 | C(/C=C\CC)C | 6 |
Structure and binding mode of 4wn5_ligand_4_2115.mol2(FDBF00116)
Important binding residues for 4wn5_ligand_4_2115.mol2(FDBF00116)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wn5 | ALA274 | -0.77 | -0.09 | -0.86 | -0.08 | -0.94 |
| 4wn5 | VAL286 | -0.38 | -0.00 | -0.38 | -0.00 | -0.39 |
| 4wn5 | PHE306 | -0.85 | -0.01 | -0.86 | 0.32 | -0.54 |
| 4wn5 | THR316 | -0.22 | -0.02 | -0.24 | -0.07 | -0.31 |
| 4wn5 | THR318 | -0.71 | 0.00 | -0.71 | 0.13 | -0.58 |
| 4wn5 | HIS338 | -1.13 | -0.14 | -1.27 | 0.69 | -0.57 |
