Binding information for 4wn5_ligand_3_676.mol2(FDBF00104)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4wn5_ligand_3_676.mol2 | 4wn5 | 1 | -5.96 | C(CC(=O)OC)C | 7 |
Structure and binding mode of 4wn5_ligand_3_676.mol2(FDBF00104)
Important binding residues for 4wn5_ligand_3_676.mol2(FDBF00104)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4wn5 | PHE241 | -2.32 | -0.40 | -2.72 | 0.38 | -2.35 |
| 4wn5 | VAL261 | -0.56 | -0.19 | -0.75 | 0.04 | -0.70 |
| 4wn5 | HIS338 | -1.42 | 0.53 | -0.89 | 0.45 | -0.43 |
| 4wn5 | PHE339 | -1.16 | -0.45 | -1.61 | 0.63 | -0.98 |
| 4wn5 | LEU340 | -1.77 | -0.39 | -2.16 | 0.27 | -1.89 |
