Binding information for 2wxl_ligand_frag_0.mol2(FDBF00484)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wxl_ligand_frag_0.mol2 | 2wxl | 1 | -5.85 | C1COCC[NH2+]1 | 6 |
Structure and binding mode of 2wxl_ligand_frag_0.mol2(FDBF00484)
Important binding residues for 2wxl_ligand_frag_0.mol2(FDBF00484)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wxl | TRP760 | -0.59 | -15.73 | -16.32 | 15.76 | -0.56 |
| 2wxl | ILE777 | -0.65 | 0.41 | -0.24 | -0.46 | -0.70 |
| 2wxl | TYR813 | -1.16 | 16.24 | 15.08 | -16.47 | -1.38 |
| 2wxl | ILE825 | -0.54 | 0.94 | 0.4 | -0.73 | -0.33 |
| 2wxl | GLU826 | -0.59 | -22.58 | -23.17 | 22.53 | -0.64 |
| 2wxl | VAL827 | -1.28 | 1.83 | 0.55 | -1.71 | -1.16 |
| 2wxl | VAL828 | -0.89 | -2.82 | -3.71 | 2.17 | -1.54 |
| 2wxl | SER831 | -0.34 | -1.82 | -2.16 | 1.73 | -0.43 |
| 2wxl | MET900 | -0.72 | -1.80 | -2.52 | 1.09 | -1.43 |
| 2wxl | ILE910 | -0.77 | 1.98 | 1.21 | -1.83 | -0.62 |
