Binding information for 2xnn_ligand_3_2.mol2(FDBF07621)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xnn_ligand_3_2.mol2 | 2xnn | 0.588235 | -6.24 | c1(ccccc1C(F)(F)F)[C@@H](C)O | 13 |
Structure and binding mode of 2xnn_ligand_3_2.mol2(FDBF07621)
Important binding residues for 2xnn_ligand_3_2.mol2(FDBF07621)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xnn | ILE14 | -0.60 | -0.41 | -1.01 | 0.39 | -0.61 |
| 2xnn | GLY15 | -0.55 | -0.05 | -0.6 | 0.09 | -0.51 |
| 2xnn | CYS22 | -0.88 | -0.00 | -0.88 | -0.04 | -0.92 |
| 2xnn | LYS37 | -0.86 | -5.09 | -5.95 | 5.23 | -0.73 |
| 2xnn | PHE148 | -0.72 | -0.01 | -0.73 | 0.13 | -0.60 |
