Binding information for 4feq_ligand_3_145.mol2(FDBF00008)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4feq_ligand_3_145.mol2 | 4feq | 0.391304 | -5.29 | CCCN1C(=O)CC=C1 | 9 |
Structure and binding mode of 4feq_ligand_3_145.mol2(FDBF00008)
Important binding residues for 4feq_ligand_3_145.mol2(FDBF00008)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4feq | PHE595 | -0.34 | 0.03 | -0.31 | -0.00 | -0.32 |
| 4feq | HIS598 | -0.97 | -0.39 | -1.36 | 0.90 | -0.47 |
| 4feq | GLY599 | -0.78 | 0.05 | -0.73 | 0.00 | -0.72 |
