Binding information for 3iod_ligand_3_14.mol2(FDBF00093)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3iod_ligand_3_14.mol2 | 3iod | 1 | -5.35 | CSSC | 4 |
Structure and binding mode of 3iod_ligand_3_14.mol2(FDBF00093)
Important binding residues for 3iod_ligand_3_14.mol2(FDBF00093)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3iod | THR39 | -0.34 | -0.88 | -1.22 | 0.66 | -0.56 |
