Binding information for 2zjf_ligand_1_0.mol2(FDBF00869)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zjf_ligand_1_0.mol2 | 2zjf | 1 | -7.32 | N(C(=O)N)c1ccccc1 | 10 |
Structure and binding mode of 2zjf_ligand_1_0.mol2(FDBF00869)
Important binding residues for 2zjf_ligand_1_0.mol2(FDBF00869)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2zjf | PHE36 | -0.99 | -0.42 | -1.41 | 0.77 | -0.64 |
| 2zjf | ASP104 | -0.42 | -13.11 | -13.53 | 12.39 | -1.14 |
| 2zjf | TRP105 | -0.56 | -0.24 | -0.8 | 0.23 | -0.57 |
| 2zjf | GLN165 | -0.30 | 0.31 | 0.01 | -0.81 | -0.79 |
| 2zjf | LEU189 | -0.71 | -0.01 | -0.72 | 0.20 | -0.52 |
| 2zjf | VAL193 | -0.64 | -0.01 | -0.65 | -0.08 | -0.74 |
| 2zjf | LEU226 | -0.64 | 1.01 | 0.37 | -0.81 | -0.44 |
| 2zjf | VAL303 | -0.29 | -0.05 | -0.34 | -0.12 | -0.47 |
