Binding information for 2xnm_ligand_3_4.mol2(FDBF07621)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xnm_ligand_3_4.mol2 | 2xnm | 0.588235 | -6.54 | O[C@H](C)c1ccccc1C(F)(F)F | 13 |
Structure and binding mode of 2xnm_ligand_3_4.mol2(FDBF07621)
Important binding residues for 2xnm_ligand_3_4.mol2(FDBF07621)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xnm | CYS22 | -0.76 | 0.11 | -0.65 | -0.22 | -0.87 |
| 2xnm | PHE148 | -0.80 | 0.20 | -0.6 | -0.03 | -0.63 |
| 2xnm | LEU162 | -0.43 | -0.10 | -0.53 | 0.16 | -0.37 |
| 2xnm | ALA163 | -0.56 | 0.38 | -0.18 | -0.30 | -0.47 |
| 2xnm | LEU166 | -0.51 | 0.27 | -0.24 | -0.15 | -0.39 |
