Binding information for 2xnp_ligand_1_4.mol2(FDBF00358)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xnp_ligand_1_4.mol2 | 2xnp | 1 | -6.35 | Oc1ccc2[nH]c[nH+]c2c1 | 10 |
Structure and binding mode of 2xnp_ligand_1_4.mol2(FDBF00358)
Important binding residues for 2xnp_ligand_1_4.mol2(FDBF00358)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xnp | ILE14 | -1.01 | -0.30 | -1.31 | 0.18 | -1.13 |
| 2xnp | VAL35 | -0.89 | -0.27 | -1.16 | 0.15 | -1.02 |
| 2xnp | GLU87 | -0.15 | -2.12 | -2.27 | 1.88 | -0.39 |
| 2xnp | GLU90 | -0.33 | -0.09 | -0.42 | -0.01 | -0.43 |
| 2xnp | GLY92 | -0.80 | -0.06 | -0.86 | -0.29 | -1.15 |
| 2xnp | PHE148 | -0.97 | 0.21 | -0.76 | 0.12 | -0.64 |
