Binding information for 4prg_ligand_3_220.mol2(FDBF00184)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4prg_ligand_3_220.mol2 | 4prg | 1 | -6.98 | CC(=O)NCc1ccccc1 | 11 |
Structure and binding mode of 4prg_ligand_3_220.mol2(FDBF00184)
Important binding residues for 4prg_ligand_3_220.mol2(FDBF00184)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4prg | CYS285 | -0.95 | -0.07 | -1.02 | 0.23 | -0.79 |
| 4prg | ARG288 | 0.05 | -6.02 | -5.97 | 5.40 | -0.57 |
| 4prg | TYR327 | -0.92 | -0.26 | -1.18 | 0.60 | -0.58 |
| 4prg | LEU330 | -1.71 | 0.07 | -1.64 | -0.18 | -1.82 |
| 4prg | LEU333 | -0.34 | 0.23 | -0.11 | -0.21 | -0.31 |
