Binding information for 2iog_ligand_2_49.mol2(FDBF00504)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iog_ligand_2_49.mol2 | 2iog | 0.904762 | -6.67 | CO[C@@H]1C[C@@H]2[NH2+]CC[C@H]2CC1 | 11 |
Structure and binding mode of 2iog_ligand_2_49.mol2(FDBF00504)
Important binding residues for 2iog_ligand_2_49.mol2(FDBF00504)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2iog | LEU346 | -1.11 | 0.45 | -0.66 | -0.49 | -1.16 |
| 2iog | ALA350 | -0.40 | -0.52 | -0.92 | 0.13 | -0.79 |
| 2iog | LEU384 | -0.54 | 0.03 | -0.51 | -0.06 | -0.57 |
| 2iog | LEU525 | -2.08 | -0.39 | -2.47 | -0.16 | -2.63 |
