Binding information for 2xnp_ligand_3_5.mol2(FDBF07621)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xnp_ligand_3_5.mol2 | 2xnp | 0.588235 | -6.57 | [C@@H](C)(c1ccccc1C(F)(F)F)O | 13 |
Structure and binding mode of 2xnp_ligand_3_5.mol2(FDBF07621)
Important binding residues for 2xnp_ligand_3_5.mol2(FDBF07621)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xnp | ILE14 | -0.82 | -0.26 | -1.08 | 0.47 | -0.62 |
| 2xnp | GLY15 | -0.49 | 0.00 | -0.49 | 0.11 | -0.38 |
| 2xnp | CYS22 | -0.67 | -0.62 | -1.29 | 0.94 | -0.36 |
| 2xnp | LYS37 | -0.51 | -1.16 | -1.67 | 1.19 | -0.48 |
| 2xnp | PHE148 | -0.79 | 0.16 | -0.63 | 0.08 | -0.54 |
| 2xnp | PHE160 | -0.75 | -0.01 | -0.76 | 0.19 | -0.57 |
