Binding information for 2vj8_ligand_2_0.mol2(FDBF07622)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vj8_ligand_2_0.mol2 | 2vj8 | 0.514286 | -6.97 | OCc1ccccc1 | 8 |
Structure and binding mode of 2vj8_ligand_2_0.mol2(FDBF07622)
Important binding residues for 2vj8_ligand_2_0.mol2(FDBF07622)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vj8 | GLN136 | -1.02 | -1.14 | -2.16 | 0.52 | -1.64 |
| 2vj8 | ALA137 | -0.58 | 0.09 | -0.49 | -0.03 | -0.52 |
| 2vj8 | TRP311 | -0.81 | -0.09 | -0.9 | 0.54 | -0.36 |
| 2vj8 | PHE314 | -1.68 | 0.42 | -1.26 | 0.30 | -0.97 |
| 2vj8 | PRO374 | -0.43 | -1.09 | -1.52 | 0.82 | -0.70 |
| 2vj8 | ALA377 | -0.28 | 0.25 | -0.03 | -0.33 | -0.36 |
| 2vj8 | TYR378 | -1.04 | -0.39 | -1.43 | 0.56 | -0.87 |
