Binding information for 4ryc_ligand_2_50.mol2(FDBF00826)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ryc_ligand_2_50.mol2 | 4ryc | 0.666667 | -5.73 | CCOC | 4 |
Structure and binding mode of 4ryc_ligand_2_50.mol2(FDBF00826)
Important binding residues for 4ryc_ligand_2_50.mol2(FDBF00826)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ryc | GLN13 | -1.00 | -1.32 | -2.32 | 0.35 | -1.98 |
| 4ryc | TYR14 | -1.08 | -1.11 | -2.19 | 0.81 | -1.38 |
| 4ryc | VAL30 | -0.65 | -0.01 | -0.66 | -0.13 | -0.79 |
| 4ryc | PHE117 | -0.49 | -0.07 | -0.56 | 0.18 | -0.38 |
| 4ryc | ALA218 | -0.52 | -0.41 | -0.93 | 0.59 | -0.35 |
