Binding information for 3ioc_ligand_3_14.mol2(FDBF00093)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ioc_ligand_3_14.mol2 | 3ioc | 1 | -5.36 | CSSC | 4 |
Structure and binding mode of 3ioc_ligand_3_14.mol2(FDBF00093)
Important binding residues for 3ioc_ligand_3_14.mol2(FDBF00093)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ioc | THR39 | -0.82 | -0.36 | -1.18 | 0.54 | -0.65 |
| 3ioc | MET40 | -0.90 | -0.68 | -1.58 | 0.74 | -0.84 |
