Binding information for 2iog_ligand_frag_11.mol2(FDBF00670)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iog_ligand_frag_11.mol2 | 2iog | 1 | -6.32 | [NH2+]1CCCCC1 | 6 |
Structure and binding mode of 2iog_ligand_frag_11.mol2(FDBF00670)
Important binding residues for 2iog_ligand_frag_11.mol2(FDBF00670)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2iog | ASP351 | -0.25 | -46.32 | -46.57 | 44.85 | -1.71 |
| 2iog | LEU354 | -0.65 | 1.68 | 1.03 | -1.64 | -0.61 |
| 2iog | TRP383 | -1.63 | 15.34 | 13.71 | -15.23 | -1.51 |
| 2iog | LEU536 | -0.81 | -16.49 | -17.3 | 16.46 | -0.84 |
