Binding information for 4zun_ligand_4_20.mol2(FDBF00073)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zun_ligand_4_20.mol2 | 4zun | 1 | -6.09 | [NH2+](CC)CCC | 6 |
Structure and binding mode of 4zun_ligand_4_20.mol2(FDBF00073)
Important binding residues for 4zun_ligand_4_20.mol2(FDBF00073)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zun | TYR168 | -1.51 | -1.02 | -2.53 | 1.06 | -1.47 |
| 4zun | ASP195 | -0.03 | -4.46 | -4.49 | 4.11 | -0.37 |
| 4zun | HIS197 | -0.68 | 1.77 | 1.09 | -1.96 | -0.87 |
| 4zun | PHE225 | -2.08 | -0.48 | -2.56 | 0.09 | -2.47 |
| 4zun | ASP284 | -0.05 | -30.78 | -30.83 | 30.26 | -0.57 |
| 4zun | ILE291 | -0.80 | -0.82 | -1.62 | 0.83 | -0.79 |
