Binding information for 4wn5_ligand_5_4636.mol2(FDBF00118)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wn5_ligand_5_4636.mol2 | 4wn5 | 1 | -6.78 | C(/C=C\CCC)C | 7 |
Structure and binding mode of 4wn5_ligand_5_4636.mol2(FDBF00118)
Important binding residues for 4wn5_ligand_5_4636.mol2(FDBF00118)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wn5 | PHE251 | -0.81 | 0.00 | -0.81 | 0.45 | -0.36 |
| 4wn5 | ALA274 | -0.80 | -0.09 | -0.89 | -0.08 | -0.97 |
| 4wn5 | VAL286 | -0.38 | 0.00 | -0.38 | -0.01 | -0.39 |
| 4wn5 | PHE306 | -1.21 | 0.01 | -1.2 | 0.45 | -0.76 |
| 4wn5 | THR316 | -0.27 | -0.02 | -0.29 | -0.07 | -0.36 |
| 4wn5 | THR318 | -0.73 | -0.00 | -0.73 | 0.13 | -0.61 |
| 4wn5 | HIS338 | -1.45 | -0.13 | -1.58 | 0.84 | -0.73 |
