Binding information for 3ggj_ligand_4_10.mol2(FDBF07655)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ggj_ligand_4_10.mol2 | 3ggj | 0.545455 | -5.50 | C(OCC)C | 5 |
Structure and binding mode of 3ggj_ligand_4_10.mol2(FDBF07655)
Important binding residues for 3ggj_ligand_4_10.mol2(FDBF07655)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ggj | THR110 | -0.43 | 0.16 | -0.27 | -0.17 | -0.44 |
| 3ggj | ILE135 | -0.84 | 0.07 | -0.77 | -0.07 | -0.85 |
