Binding information for 2igy_ligand_3_266.mol2(FDBF00666)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2igy_ligand_3_266.mol2 | 2igy | 1 | -6.19 | C(C)(C)CC[NH+]1CCCCC1 | 11 |
Structure and binding mode of 2igy_ligand_3_266.mol2(FDBF00666)
Important binding residues for 2igy_ligand_3_266.mol2(FDBF00666)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2igy | GLY36 | -1.05 | -1.84 | -2.89 | 2.41 | -0.48 |
| 2igy | GLY216 | -0.21 | 0.55 | 0.34 | -0.72 | -0.39 |
| 2igy | THR217 | -0.41 | -0.58 | -0.99 | 0.68 | -0.32 |
| 2igy | PHE294 | -0.45 | -11.14 | -11.59 | 11.21 | -0.38 |
| 2igy | ILE300 | -0.77 | 0.61 | -0.16 | -0.73 | -0.89 |
