Binding information for 1a7x_ligand_2_35.mol2(FDBF00748)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7x_ligand_2_35.mol2 | 1a7x | 0.704545 | -5.90 | O(C)[C@@H]1C[C@@H](CC[C@H]1O)/C=C\C | 12 |
Structure and binding mode of 1a7x_ligand_2_35.mol2(FDBF00748)
Important binding residues for 1a7x_ligand_2_35.mol2(FDBF00748)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a7x | VAL55 | -0.82 | 0.10 | -0.72 | 0.11 | -0.62 |
| 1a7x | ILE56 | -0.91 | -0.07 | -0.98 | 0.13 | -0.85 |
