Binding information for 3ieo_ligand_3_4.mol2(FDBF03398)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ieo_ligand_3_4.mol2 | 3ieo | 1 | -4.79 | C(=O)(N)CCOC | 7 |
Structure and binding mode of 3ieo_ligand_3_4.mol2(FDBF03398)
Important binding residues for 3ieo_ligand_3_4.mol2(FDBF03398)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ieo | ILE91 | -0.47 | -1.22 | -1.69 | 1.29 | -0.40 |
