Binding information for 2o4n_ligand_2_49.mol2(FDBF07599)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o4n_ligand_2_49.mol2 | 2o4n | 0.875 | -6.83 | Cc1cccc(N[S](O)O)c1 | 11 |
Structure and binding mode of 2o4n_ligand_2_49.mol2(FDBF07599)
Important binding residues for 2o4n_ligand_2_49.mol2(FDBF07599)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2o4n | ALA28 | -1.18 | 2.68 | 1.5 | -2.21 | -0.71 |
| 2o4n | ASP29 | -1.00 | -28.71 | -29.71 | 28.58 | -1.13 |
| 2o4n | ASP30 | -0.98 | -25.98 | -26.96 | 26.27 | -0.69 |
| 2o4n | ILE47 | -1.24 | 2.51 | 1.27 | -2.52 | -1.26 |
| 2o4n | GLY48 | -0.83 | -6.38 | -7.21 | 5.84 | -1.38 |
| 2o4n | GLY49 | -0.72 | 0.51 | -0.21 | -0.17 | -0.38 |
| 2o4n | ILE50 | -0.41 | -0.41 | -0.82 | 0.51 | -0.31 |
| 2o4n | VAL84 | -0.40 | 0.15 | -0.25 | -0.10 | -0.35 |
| 2o4n | ILE50 | -1.72 | 1.11 | -0.61 | -1.28 | -1.89 |
