Binding information for 1a7x_ligand_1_5.mol2(FDBF07641)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1a7x_ligand_1_5.mol2 | 1a7x | 0.653846 | -5.97 | [C@@H]1(CC[C@@H](CC1)O)/C=C\C | 10 |
Structure and binding mode of 1a7x_ligand_1_5.mol2(FDBF07641)
Important binding residues for 1a7x_ligand_1_5.mol2(FDBF07641)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1a7x | VAL55 | -0.77 | -0.10 | -0.87 | 0.28 | -0.59 |
| 1a7x | ILE56 | -0.85 | -0.17 | -1.02 | 0.21 | -0.80 |
