Binding information for 2jsd_ligand_1_2.mol2(FDBF00576)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2jsd_ligand_1_2.mol2 | 2jsd | 1 | -5.44 | CN[S](O)O | 5 |
Structure and binding mode of 2jsd_ligand_1_2.mol2(FDBF00576)
Important binding residues for 2jsd_ligand_1_2.mol2(FDBF00576)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2jsd | ASP183 | -0.04 | -33.67 | -33.71 | 33.22 | -0.50 |
| 2jsd | GLY187 | -0.42 | -2.80 | -3.22 | 2.83 | -0.38 |
| 2jsd | THR188 | -0.85 | 0.91 | 0.06 | -1.05 | -0.98 |
| 2jsd | ALA190 | 0.04 | -7.50 | -7.46 | 5.21 | -2.25 |
| 2jsd | HIS191 | -0.19 | -0.60 | -0.79 | 0.36 | -0.43 |
| 2jsd | ASP206 | -0.02 | -28.58 | -28.6 | 28.21 | -0.39 |
| 2jsd | GLU209 | -0.02 | -30.36 | -30.38 | 29.92 | -0.46 |
