Binding information for 1zsr_ligand_2_0.mol2(FDBF05618)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1zsr_ligand_2_0.mol2 | 1zsr | 0.695652 | -6.54 | CNC(=O)OC(C)(C)C | 9 |
Structure and binding mode of 1zsr_ligand_2_0.mol2(FDBF05618)
Important binding residues for 1zsr_ligand_2_0.mol2(FDBF05618)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1zsr | GLY127 | -0.45 | -1.26 | -1.71 | 1.41 | -0.31 |
| 1zsr | ALA128 | -1.21 | -0.01 | -1.22 | 0.33 | -0.89 |
| 1zsr | VAL132 | -0.72 | -0.61 | -1.33 | 0.77 | -0.56 |
| 1zsr | ILE147 | -0.82 | 0.10 | -0.72 | -0.03 | -0.75 |
| 1zsr | GLY149 | -0.59 | -1.54 | -2.13 | 0.99 | -1.14 |
| 1zsr | ILE184 | -0.71 | -0.00 | -0.71 | 0.01 | -0.70 |
