Binding information for 4zun_ligand_4_30.mol2(FDBF00072)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zun_ligand_4_30.mol2 | 4zun | 1 | -6.07 | [NH2+](C)CCCC | 6 |
Structure and binding mode of 4zun_ligand_4_30.mol2(FDBF00072)
Important binding residues for 4zun_ligand_4_30.mol2(FDBF00072)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zun | TYR168 | -1.83 | -0.98 | -2.81 | 1.22 | -1.59 |
| 4zun | ASP195 | -0.07 | -4.72 | -4.79 | 3.74 | -1.05 |
| 4zun | HIS197 | -0.85 | 1.60 | 0.75 | -2.39 | -1.64 |
| 4zun | PHE225 | -2.05 | -0.49 | -2.54 | 0.14 | -2.41 |
| 4zun | ASP284 | -0.12 | -31.41 | -31.53 | 30.31 | -1.22 |
| 4zun | ILE291 | -0.81 | -0.81 | -1.62 | 0.82 | -0.81 |
| 4zun | TYR323 | -0.62 | -13.94 | -14.56 | 14.05 | -0.51 |
