Binding information for 4zun_ligand_4_33.mol2(FDBF00137)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zun_ligand_4_33.mol2 | 4zun | 0.384615 | -6.46 | C(S)CCCC | 6 |
Structure and binding mode of 4zun_ligand_4_33.mol2(FDBF00137)
Important binding residues for 4zun_ligand_4_33.mol2(FDBF00137)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zun | GLY167 | -0.90 | -0.55 | -1.45 | 0.76 | -0.68 |
| 4zun | TYR168 | -2.12 | -0.20 | -2.32 | 0.86 | -1.47 |
| 4zun | ASP195 | -0.42 | 3.25 | 2.83 | -7.43 | -4.60 |
| 4zun | HIS197 | -1.25 | 0.94 | -0.31 | -3.33 | -3.65 |
| 4zun | PHE225 | -1.33 | 0.06 | -1.27 | 0.40 | -0.87 |
| 4zun | ASP284 | -0.35 | 4.52 | 4.17 | -9.70 | -5.54 |
| 4zun | ILE291 | -0.59 | -0.05 | -0.64 | 0.07 | -0.57 |
