Binding information for 2wxo_ligand_2_5.mol2(FDBF02608)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wxo_ligand_2_5.mol2 | 2wxo | 1 | -6.41 | O(C)c1cc(N)ccc1 | 9 |
Structure and binding mode of 2wxo_ligand_2_5.mol2(FDBF02608)
Important binding residues for 2wxo_ligand_2_5.mol2(FDBF02608)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wxo | MET752 | -0.51 | -0.07 | -0.58 | 0.02 | -0.57 |
| 2wxo | TRP760 | -0.65 | 0.20 | -0.45 | 0.04 | -0.41 |
| 2wxo | ILE777 | -0.80 | -1.35 | -2.15 | 1.41 | -0.74 |
| 2wxo | ILE825 | -0.41 | 0.15 | -0.26 | -0.28 | -0.54 |
| 2wxo | VAL827 | -1.08 | -0.45 | -1.53 | 0.21 | -1.31 |
| 2wxo | MET900 | -0.93 | 0.55 | -0.38 | 0.02 | -0.35 |
| 2wxo | PHE908 | -0.47 | -0.23 | -0.7 | 0.37 | -0.34 |
| 2wxo | ILE910 | -0.93 | 0.14 | -0.79 | -0.26 | -1.04 |
