Binding information for 1o86_ligand_2_14.mol2(FDBF00450)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o86_ligand_2_14.mol2 | 1o86 | 1 | -5.88 | C(C)[NH2+]CC(=O)O | 7 |
Structure and binding mode of 1o86_ligand_2_14.mol2(FDBF00450)
Important binding residues for 1o86_ligand_2_14.mol2(FDBF00450)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o86 | ALA354 | -0.08 | -5.86 | -5.94 | 4.01 | -1.93 |
| 1o86 | SER355 | -0.46 | -1.12 | -1.58 | 0.83 | -0.75 |
| 1o86 | VAL380 | -0.40 | 0.61 | 0.21 | -0.63 | -0.43 |
| 1o86 | HIS387 | -0.65 | 0.28 | -0.37 | -0.04 | -0.41 |
| 1o86 | GLU411 | -0.56 | 22.04 | 21.48 | -25.56 | -4.08 |
| 1o86 | TYR523 | -0.40 | -5.86 | -6.26 | 5.74 | -0.52 |
