Binding information for 2wxo_ligand_2_1.mol2(FDBF02608)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wxo_ligand_2_1.mol2 | 2wxo | 1 | -6.62 | Nc1cc(OC)ccc1 | 9 |
Structure and binding mode of 2wxo_ligand_2_1.mol2(FDBF02608)
Important binding residues for 2wxo_ligand_2_1.mol2(FDBF02608)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wxo | MET752 | -0.43 | -0.06 | -0.49 | -0.02 | -0.51 |
| 2wxo | ILE777 | -0.81 | -1.34 | -2.15 | 1.38 | -0.77 |
| 2wxo | TYR813 | -0.70 | -0.62 | -1.32 | 0.70 | -0.62 |
| 2wxo | ILE825 | -0.65 | 0.25 | -0.4 | -0.47 | -0.86 |
| 2wxo | VAL827 | -1.27 | -0.99 | -2.26 | 0.13 | -2.14 |
| 2wxo | VAL828 | -1.20 | -1.43 | -2.63 | 1.20 | -1.43 |
| 2wxo | MET900 | -1.07 | 0.60 | -0.47 | 0.03 | -0.44 |
| 2wxo | PHE908 | -0.72 | -0.21 | -0.93 | 0.39 | -0.55 |
| 2wxo | ILE910 | -1.13 | 0.21 | -0.92 | -0.32 | -1.24 |
