Binding information for 4prg_ligand_3_460.mol2(FDBF00122)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4prg_ligand_3_460.mol2 | 4prg | 1 | -6.49 | CC/C=C/C | 5 |
Structure and binding mode of 4prg_ligand_3_460.mol2(FDBF00122)
Important binding residues for 4prg_ligand_3_460.mol2(FDBF00122)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4prg | PHE282 | -0.51 | -0.02 | -0.53 | -0.00 | -0.53 |
| 4prg | LEU353 | -0.85 | -0.03 | -0.88 | 0.02 | -0.86 |
| 4prg | PHE363 | -0.76 | -0.01 | -0.77 | 0.09 | -0.68 |
| 4prg | MET364 | -0.52 | -0.04 | -0.56 | 0.24 | -0.33 |
