Binding information for 1fkf_ligand_1_3.mol2(FDBF07641)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1fkf_ligand_1_3.mol2 | 1fkf | 0.653846 | -6.43 | [C@@H]1(CC[C@@H](CC1)O)/C=C\C | 10 |
Structure and binding mode of 1fkf_ligand_1_3.mol2(FDBF07641)
Important binding residues for 1fkf_ligand_1_3.mol2(FDBF07641)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1fkf | VAL55 | -0.41 | 0.08 | -0.33 | -0.05 | -0.38 |
| 1fkf | ILE56 | -0.91 | -0.08 | -0.99 | 0.10 | -0.90 |
