Binding information for 2qnz_ligand_1_7.mol2(FDBF00100)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qnz_ligand_1_7.mol2 | 2qnz | 1 | -5.41 | CCOC=O | 5 |
Structure and binding mode of 2qnz_ligand_1_7.mol2(FDBF00100)
Important binding residues for 2qnz_ligand_1_7.mol2(FDBF00100)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qnz | LEU142 | -0.44 | -0.60 | -1.04 | 0.67 | -0.37 |
| 2qnz | PHE157 | -0.54 | -0.26 | -0.8 | 0.23 | -0.56 |
| 2qnz | SER276 | -0.99 | -0.01 | -1 | -0.29 | -1.28 |
| 2qnz | GLY305 | 0.07 | -1.83 | -1.76 | 1.08 | -0.68 |
| 2qnz | ALA306 | 0.10 | -1.40 | -1.3 | 0.96 | -0.33 |
| 2qnz | THR87 | -0.41 | -0.07 | -0.48 | -0.18 | -0.66 |
