Binding information for 4dv8_ligand_2_52.mol2(FDBF00826)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dv8_ligand_2_52.mol2 | 4dv8 | 0.666667 | -5.47 | O(C)CC | 4 |
Structure and binding mode of 4dv8_ligand_2_52.mol2(FDBF00826)
Important binding residues for 4dv8_ligand_2_52.mol2(FDBF00826)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dv8 | SER655 | -0.41 | -0.81 | -1.22 | 0.72 | -0.50 |
| 4dv8 | LYS656 | -0.90 | -1.09 | -1.99 | 0.81 | -1.18 |
| 4dv8 | GLY657 | -0.71 | -0.07 | -0.78 | 0.04 | -0.75 |
| 4dv8 | TYR728 | -0.63 | -0.17 | -0.8 | 0.31 | -0.50 |
| 4dv8 | GLU735 | -0.10 | -0.89 | -0.99 | 0.21 | -0.78 |
