Binding information for 4feq_ligand_2_41.mol2(FDBF00008)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4feq_ligand_2_41.mol2 | 4feq | 0.393939 | -5.22 | CCN1C(=O)CC=C1 | 8 |
Structure and binding mode of 4feq_ligand_2_41.mol2(FDBF00008)
Important binding residues for 4feq_ligand_2_41.mol2(FDBF00008)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4feq | HIS598 | -0.89 | -0.34 | -1.23 | 0.85 | -0.37 |
| 4feq | GLY599 | -0.67 | 0.06 | -0.61 | -0.01 | -0.62 |
