Binding information for 2fj0_ligand_5_231.mol2(FDBF01022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fj0_ligand_5_231.mol2 | 2fj0 | 0.923077 | -6.02 | CSCCCC | 6 |
Structure and binding mode of 2fj0_ligand_5_231.mol2(FDBF01022)
Important binding residues for 2fj0_ligand_5_231.mol2(FDBF01022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fj0 | GLY147 | -0.44 | -0.71 | -1.15 | 0.63 | -0.52 |
| 2fj0 | PHE259 | -1.27 | 0.20 | -1.07 | 0.38 | -0.69 |
| 2fj0 | LEU313 | -0.81 | 0.27 | -0.54 | -0.11 | -0.66 |
| 2fj0 | THR314 | -0.55 | -0.21 | -0.76 | 0.31 | -0.44 |
| 2fj0 | PHE361 | -0.97 | -0.30 | -1.27 | 0.62 | -0.65 |
| 2fj0 | PHE425 | -0.63 | -0.20 | -0.83 | 0.48 | -0.35 |
