Binding information for 1d7j_ligand_frag_0.mol2(FDBF04235)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1d7j_ligand_frag_0.mol2 | 1d7j | 0.25 | -5.54 | C(=O)C | 3 |
Structure and binding mode of 1d7j_ligand_frag_0.mol2(FDBF04235)
Important binding residues for 1d7j_ligand_frag_0.mol2(FDBF04235)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1d7j | VAL55 | -0.63 | -1.80 | -2.43 | 0.62 | -1.82 |
| 1d7j | ILE56 | -0.69 | -1.55 | -2.24 | 0.39 | -1.85 |
| 1d7j | TRP59 | -1.01 | -0.64 | -1.65 | 0.58 | -1.06 |
| 1d7j | PHE99 | -0.50 | -0.72 | -1.22 | 0.87 | -0.34 |
