Binding information for 2jnp_ligand_1_3.mol2(FDBF06441)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2jnp_ligand_1_3.mol2 | 2jnp | 0.416667 | -5.45 | [S](O)(O)NC | 5 |
Structure and binding mode of 2jnp_ligand_1_3.mol2(FDBF06441)
Important binding residues for 2jnp_ligand_1_3.mol2(FDBF06441)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2jnp | ASP158 | -0.02 | -30.36 | -30.38 | 29.97 | -0.41 |
| 2jnp | VAL163 | -0.83 | 2.15 | 1.32 | -2.24 | -0.91 |
| 2jnp | LEU164 | -0.83 | 3.08 | 2.25 | -2.92 | -0.67 |
| 2jnp | ALA165 | 1.18 | -8.82 | -7.64 | 6.01 | -1.63 |
| 2jnp | HIS166 | -0.33 | -0.38 | -0.71 | 0.32 | -0.39 |
| 2jnp | ASP181 | -0.03 | -33.85 | -33.88 | 33.48 | -0.41 |
| 2jnp | GLU202 | -0.11 | -26.84 | -26.95 | 26.52 | -0.43 |
