Binding information for 2oax_ligand_frag_1.mol2(FDBF01326)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2oax_ligand_frag_1.mol2 | 2oax | 0.571429 | -5.77 | C(=O)(S)C | 4 |
Structure and binding mode of 2oax_ligand_frag_1.mol2(FDBF01326)
Important binding residues for 2oax_ligand_frag_1.mol2(FDBF01326)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2oax | SER811 | -0.22 | -0.54 | -0.76 | 0.42 | -0.34 |
| 2oax | LEU814 | -0.54 | -0.31 | -0.85 | 0.28 | -0.57 |
| 2oax | PHE829 | -0.50 | 0.25 | -0.25 | -0.24 | -0.50 |
| 2oax | CYS849 | -0.59 | -0.22 | -0.81 | 0.10 | -0.70 |
| 2oax | MET852 | -0.75 | -0.07 | -0.82 | 0.16 | -0.66 |
| 2oax | LEU938 | -0.76 | -0.28 | -1.04 | 0.20 | -0.83 |
