Binding information for 2iog_ligand_1_10.mol2(FDBF00663)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iog_ligand_1_10.mol2 | 2iog | 1 | -6.37 | [NH+]1(CCCCC1)C | 7 |
Structure and binding mode of 2iog_ligand_1_10.mol2(FDBF00663)
Important binding residues for 2iog_ligand_1_10.mol2(FDBF00663)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2iog | ALA350 | -0.79 | 1.24 | 0.45 | -0.82 | -0.37 |
| 2iog | LEU354 | -0.66 | 1.61 | 0.95 | -1.66 | -0.71 |
| 2iog | TRP383 | -1.74 | 15.39 | 13.65 | -15.13 | -1.47 |
| 2iog | LEU525 | -0.44 | 0.20 | -0.24 | -0.18 | -0.41 |
| 2iog | LEU536 | -0.82 | -16.26 | -17.08 | 16.37 | -0.71 |
