Binding information for 4prg_ligand_4_1665.mol2(FDBF00082)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4prg_ligand_4_1665.mol2 | 4prg | 1 | -6.66 | C(C)C/C=C/C | 6 |
Structure and binding mode of 4prg_ligand_4_1665.mol2(FDBF00082)
Important binding residues for 4prg_ligand_4_1665.mol2(FDBF00082)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4prg | PHE282 | -0.58 | 0.00 | -0.58 | 0.00 | -0.58 |
| 4prg | MET348 | -0.45 | 0.06 | -0.39 | 0.04 | -0.34 |
| 4prg | LEU353 | -1.03 | -0.02 | -1.05 | 0.03 | -1.02 |
| 4prg | PHE363 | -0.76 | -0.03 | -0.79 | 0.11 | -0.68 |
