Binding information for 2fj0_ligand_3_116.mol2(FDBF06778)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fj0_ligand_3_116.mol2 | 2fj0 | 0.169492 | -5.22 | C(CO)SC | 5 |
Structure and binding mode of 2fj0_ligand_3_116.mol2(FDBF06778)
Important binding residues for 2fj0_ligand_3_116.mol2(FDBF06778)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2fj0 | GLY145 | -0.41 | -1.52 | -1.93 | 0.43 | -1.51 |
| 2fj0 | GLY146 | 0.04 | -2.29 | -2.25 | 1.11 | -1.14 |
| 2fj0 | GLY228 | -0.10 | -0.44 | -0.54 | 0.18 | -0.35 |
| 2fj0 | PHE259 | -1.41 | 0.12 | -1.29 | 0.33 | -0.95 |
