Binding information for 4djy_ligand_frag_4.mol2(FDBF01877)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djy_ligand_frag_4.mol2 | 4djy | 1 | -5.47 | C#CC | 3 |
Structure and binding mode of 4djy_ligand_frag_4.mol2(FDBF01877)
Important binding residues for 4djy_ligand_frag_4.mol2(FDBF01877)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4djy | GLN73 | -0.33 | -0.14 | -0.47 | 0.12 | -0.36 |
| 4djy | GLY74 | -0.47 | -0.23 | -0.7 | 0.24 | -0.46 |
| 4djy | GLY291 | -0.78 | -0.25 | -1.03 | 0.19 | -0.84 |
| 4djy | THR292 | -0.84 | -0.42 | -1.26 | 0.38 | -0.88 |
| 4djy | THR293 | -1.03 | -0.08 | -1.11 | 0.49 | -0.62 |
