Binding information for 4ryg_ligand_3_267.mol2(FDBF00169)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ryg_ligand_3_267.mol2 | 4ryg | 1 | -5.87 | CCCOC | 5 |
Structure and binding mode of 4ryg_ligand_3_267.mol2(FDBF00169)
Important binding residues for 4ryg_ligand_3_267.mol2(FDBF00169)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ryg | GLN13 | -1.30 | -1.36 | -2.66 | 0.28 | -2.38 |
| 4ryg | TYR14 | -0.85 | -1.09 | -1.94 | 0.76 | -1.18 |
| 4ryg | VAL30 | -0.59 | -0.03 | -0.62 | -0.06 | -0.68 |
| 4ryg | PHE117 | -0.58 | 0.15 | -0.43 | 0.09 | -0.35 |
| 4ryg | ALA218 | -0.76 | -0.40 | -1.16 | 0.55 | -0.60 |
