Binding information for 2o4l_ligand_2_49.mol2(FDBF07599)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2o4l_ligand_2_49.mol2 | 2o4l | 0.875 | -6.77 | N([S](O)O)c1cccc(c1)C | 11 |
Structure and binding mode of 2o4l_ligand_2_49.mol2(FDBF07599)
Important binding residues for 2o4l_ligand_2_49.mol2(FDBF07599)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2o4l | ALA28 | -1.27 | 2.43 | 1.16 | -2.16 | -1.00 |
| 2o4l | ASP29 | -1.13 | -28.21 | -29.34 | 28.02 | -1.32 |
| 2o4l | VAL32 | -0.42 | -15.36 | -15.78 | 15.40 | -0.38 |
| 2o4l | ILE47 | -1.49 | 3.29 | 1.8 | -3.02 | -1.23 |
| 2o4l | GLY48 | -0.84 | -6.71 | -7.55 | 6.14 | -1.42 |
| 2o4l | GLY49 | -0.73 | 0.40 | -0.33 | -0.03 | -0.36 |
| 2o4l | ILE84 | -0.66 | 0.25 | -0.41 | -0.22 | -0.62 |
| 2o4l | VAL50 | -1.50 | 1.11 | -0.39 | -1.28 | -1.67 |
