Binding information for 2fj0_ligand_5_196.mol2(FDBF00136)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fj0_ligand_5_196.mol2 | 2fj0 | 0.434783 | -6.45 | CCCCCS | 6 |
Structure and binding mode of 2fj0_ligand_5_196.mol2(FDBF00136)
Important binding residues for 2fj0_ligand_5_196.mol2(FDBF00136)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fj0 | GLY147 | -0.41 | -0.62 | -1.03 | 0.40 | -0.64 |
| 2fj0 | PHE259 | -1.06 | 0.22 | -0.84 | 0.52 | -0.32 |
| 2fj0 | LEU313 | -0.84 | 0.07 | -0.77 | 0.05 | -0.72 |
| 2fj0 | THR314 | -0.55 | -0.21 | -0.76 | 0.34 | -0.43 |
| 2fj0 | PHE361 | -1.00 | -0.53 | -1.53 | 0.89 | -0.65 |
