Binding information for 1o86_ligand_2_35.mol2(FDBF01685)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o86_ligand_2_35.mol2 | 1o86 | 1 | -5.99 | C[C@H]([NH2+]C)C(=O)O | 7 |
Structure and binding mode of 1o86_ligand_2_35.mol2(FDBF01685)
Important binding residues for 1o86_ligand_2_35.mol2(FDBF01685)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o86 | ALA354 | -0.06 | -6.02 | -6.08 | 4.23 | -1.85 |
| 1o86 | SER355 | -0.68 | -1.00 | -1.68 | 0.85 | -0.83 |
| 1o86 | HIS387 | -0.67 | 0.25 | -0.42 | 0.04 | -0.38 |
| 1o86 | GLU411 | -0.57 | 21.86 | 21.29 | -25.65 | -4.36 |
| 1o86 | TYR523 | -0.51 | -5.78 | -6.29 | 5.74 | -0.55 |
