Binding information for 2i5f_ligand_1_6.mol2(FDBF00092)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2i5f_ligand_1_6.mol2 | 2i5f | 0.74359 | -5.54 | C1C=C[C@@H]([C@H](C1)O)O | 8 |
Structure and binding mode of 2i5f_ligand_1_6.mol2(FDBF00092)
Important binding residues for 2i5f_ligand_1_6.mol2(FDBF00092)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2i5f | GLY255 | -0.74 | -0.78 | -1.52 | 0.63 | -0.89 |
| 2i5f | HIS256 | -1.00 | -0.96 | -1.96 | 1.23 | -0.72 |
