Binding information for 2gde_ligand_2_46.mol2(FDBF00749)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gde_ligand_2_46.mol2 | 2gde | 0.538462 | -5.82 | C[C@H](Cl)C(C)C | 6 |
Structure and binding mode of 2gde_ligand_2_46.mol2(FDBF00749)
Important binding residues for 2gde_ligand_2_46.mol2(FDBF00749)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2gde | ILE174 | -0.59 | 0.30 | -0.29 | -0.23 | -0.52 |
| 2gde | TRP215 | -1.47 | 0.36 | -1.11 | 0.25 | -0.85 |
| 2gde | GLY216 | -0.95 | -0.30 | -1.25 | 0.89 | -0.36 |
