Binding information for 2iyf_ligand_1_5.mol2(FDBF07557)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iyf_ligand_1_5.mol2 | 2iyf | 0.583333 | -5.99 | C1[C@@H]([C@H](C[C@H](O1)C)[NH+](C)C)O | 11 |
Structure and binding mode of 2iyf_ligand_1_5.mol2(FDBF07557)
Important binding residues for 2iyf_ligand_1_5.mol2(FDBF07557)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2iyf | HIS19 | 0.59 | -15.72 | -15.13 | 14.50 | -0.63 |
| 2iyf | TRP73 | -3.12 | -3.01 | -6.13 | 3.15 | -2.97 |
| 2iyf | PHE84 | -0.80 | 0.80 | 0 | -0.55 | -0.56 |
