Binding information for 4ryg_ligand_2_69.mol2(FDBF00826)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ryg_ligand_2_69.mol2 | 4ryg | 0.666667 | -5.71 | O(C)CC | 4 |
Structure and binding mode of 4ryg_ligand_2_69.mol2(FDBF00826)
Important binding residues for 4ryg_ligand_2_69.mol2(FDBF00826)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ryg | GLN13 | -1.04 | -1.32 | -2.36 | 0.29 | -2.06 |
| 4ryg | TYR14 | -0.78 | -1.07 | -1.85 | 0.71 | -1.13 |
| 4ryg | VAL30 | -0.56 | -0.04 | -0.6 | -0.05 | -0.65 |
| 4ryg | ALA218 | -0.65 | -0.40 | -1.05 | 0.59 | -0.45 |
