Binding information for 2jdo_ligand_2_0.mol2(FDBF00601)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2jdo_ligand_2_0.mol2 | 2jdo | 0.818182 | -6.01 | OCc1ccc(Cl)cc1 | 9 |
Structure and binding mode of 2jdo_ligand_2_0.mol2(FDBF00601)
Important binding residues for 2jdo_ligand_2_0.mol2(FDBF00601)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2jdo | LYS160 | -1.52 | -1.19 | -2.71 | 1.27 | -1.43 |
| 2jdo | GLY161 | -0.94 | 0.53 | -0.41 | -0.16 | -0.58 |
| 2jdo | LYS165 | -0.73 | -0.09 | -0.82 | 0.41 | -0.42 |
| 2jdo | VAL166 | -0.39 | 0.02 | -0.37 | -0.01 | -0.39 |
| 2jdo | LYS181 | -0.57 | -2.41 | -2.98 | 2.67 | -0.31 |
