Binding information for 4dgo_ligand_frag_2.mol2(FDBF00203)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dgo_ligand_frag_2.mol2 | 4dgo | 1 | -6.81 | c1cc(c(cc1)O)O | 8 |
Structure and binding mode of 4dgo_ligand_frag_2.mol2(FDBF00203)
Important binding residues for 4dgo_ligand_frag_2.mol2(FDBF00203)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dgo | VAL53 | -0.78 | 0.06 | -0.72 | -0.22 | -0.95 |
| 4dgo | ILE66 | -0.78 | 0.07 | -0.71 | -0.24 | -0.95 |
| 4dgo | PHE113 | -1.46 | 0.00 | -1.46 | 0.35 | -1.11 |
| 4dgo | ILE174 | -1.87 | -0.63 | -2.5 | 0.07 | -2.42 |
| 4dgo | ASP175 | -1.00 | -1.09 | -2.09 | 1.22 | -0.87 |
