Binding information for 2gde_ligand_1_5.mol2(FDBF00640)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gde_ligand_1_5.mol2 | 2gde | 0.571429 | -5.29 | CCCl | 3 |
Structure and binding mode of 2gde_ligand_1_5.mol2(FDBF00640)
Important binding residues for 2gde_ligand_1_5.mol2(FDBF00640)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2gde | TRP215 | -1.02 | 0.39 | -0.63 | -0.05 | -0.68 |
| 2gde | GLU217 | -0.36 | -1.86 | -2.22 | 1.89 | -0.33 |
