Binding information for 3e0p_ligand_4_310.mol2(FDBF07649)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3e0p_ligand_4_310.mol2 | 3e0p | 0.661017 | -5.62 | CO[C@@H]1CCN(C1)C(=O)CC | 11 |
Structure and binding mode of 3e0p_ligand_4_310.mol2(FDBF07649)
Important binding residues for 3e0p_ligand_4_310.mol2(FDBF07649)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3e0p | HIS57 | -1.30 | -0.30 | -1.6 | 1.27 | -0.33 |
| 3e0p | TRP215 | -1.95 | -2.15 | -4.1 | 1.22 | -2.88 |
