Binding information for 4ryc_ligand_3_169.mol2(FDBF02824)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ryc_ligand_3_169.mol2 | 4ryc | 1 | -5.89 | C(C)COC | 5 |
Structure and binding mode of 4ryc_ligand_3_169.mol2(FDBF02824)
Important binding residues for 4ryc_ligand_3_169.mol2(FDBF02824)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ryc | GLN13 | -1.26 | -1.33 | -2.59 | 0.32 | -2.27 |
| 4ryc | TYR14 | -1.14 | -1.13 | -2.27 | 0.86 | -1.41 |
| 4ryc | VAL30 | -0.65 | -0.00 | -0.65 | -0.15 | -0.81 |
| 4ryc | PHE117 | -0.64 | -0.08 | -0.72 | 0.22 | -0.50 |
| 4ryc | ALA218 | -0.66 | -0.39 | -1.05 | 0.55 | -0.50 |
