Binding information for 3dei_ligand_1_2.mol2(FDBF05564)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3dei_ligand_1_2.mol2 | 3dei | 1 | -5.66 | c1(ccccc1)COC(=O)C | 11 |
Structure and binding mode of 3dei_ligand_1_2.mol2(FDBF05564)
Important binding residues for 3dei_ligand_1_2.mol2(FDBF05564)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3dei | GLU167 | -0.99 | 0.61 | -0.38 | -1.07 | -1.45 |
| 3dei | LEU168 | -1.54 | -0.33 | -1.87 | 0.09 | -1.79 |
