Binding information for 4prg_ligand_2_81.mol2(FDBF00017)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4prg_ligand_2_81.mol2 | 4prg | 1 | -6.34 | C(=C\C)/C | 4 |
Structure and binding mode of 4prg_ligand_2_81.mol2(FDBF00017)
Important binding residues for 4prg_ligand_2_81.mol2(FDBF00017)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4prg | PHE282 | -0.46 | -0.03 | -0.49 | -0.01 | -0.50 |
| 4prg | LEU353 | -0.63 | -0.02 | -0.65 | -0.01 | -0.66 |
| 4prg | PHE363 | -0.67 | -0.02 | -0.69 | 0.07 | -0.62 |
| 4prg | MET364 | -0.49 | -0.03 | -0.52 | 0.11 | -0.41 |
