Binding information for 4prg_ligand_3_676.mol2(FDBF00182)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4prg_ligand_3_676.mol2 | 4prg | 1 | -6.80 | C(=O)N(Cc1ccccc1)C | 11 |
Structure and binding mode of 4prg_ligand_3_676.mol2(FDBF00182)
Important binding residues for 4prg_ligand_3_676.mol2(FDBF00182)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4prg | CYS285 | -0.90 | -0.08 | -0.98 | 0.32 | -0.66 |
| 4prg | ARG288 | -0.06 | -5.09 | -5.15 | 4.21 | -0.94 |
| 4prg | TYR327 | -0.95 | -0.26 | -1.21 | 0.66 | -0.56 |
| 4prg | LEU330 | -2.04 | 0.09 | -1.95 | -0.27 | -2.21 |
| 4prg | LEU333 | -0.39 | 0.20 | -0.19 | -0.26 | -0.45 |
