Binding information for 3e0p_ligand_3_130.mol2(FDBF07649)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3e0p_ligand_3_130.mol2 | 3e0p | 0.637931 | -5.48 | CO[C@@H]1CCN(C1)C(=O)C | 10 |
Structure and binding mode of 3e0p_ligand_3_130.mol2(FDBF07649)
Important binding residues for 3e0p_ligand_3_130.mol2(FDBF07649)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3e0p | HIS57 | -1.29 | -0.29 | -1.58 | 1.25 | -0.33 |
| 3e0p | TRP215 | -1.68 | -2.16 | -3.84 | 1.15 | -2.69 |
| 3e0p | GLY216 | -0.54 | -1.05 | -1.59 | 0.90 | -0.68 |
