Binding information for 2vj8_ligand_frag_0.mol2(FDBF00005)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2vj8_ligand_frag_0.mol2 | 2vj8 | 1 | -6.84 | c1ccccc1 | 6 |
Structure and binding mode of 2vj8_ligand_frag_0.mol2(FDBF00005)
Important binding residues for 2vj8_ligand_frag_0.mol2(FDBF00005)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2vj8 | GLN136 | -0.49 | 0.19 | -0.3 | -0.03 | -0.33 |
| 2vj8 | TRP311 | -0.76 | -0.22 | -0.98 | 0.60 | -0.38 |
| 2vj8 | PHE314 | -1.59 | 0.37 | -1.22 | 0.28 | -0.94 |
| 2vj8 | PRO374 | -0.21 | -0.92 | -1.13 | 0.79 | -0.34 |
| 2vj8 | ALA377 | -0.26 | 0.12 | -0.14 | -0.25 | -0.38 |
| 2vj8 | TYR378 | -0.55 | -0.39 | -0.94 | 0.36 | -0.58 |
