Binding information for 2qnz_ligand_2_27.mol2(FDBF01477)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qnz_ligand_2_27.mol2 | 2qnz | 1 | -5.63 | C(C)COC=O | 6 |
Structure and binding mode of 2qnz_ligand_2_27.mol2(FDBF01477)
Important binding residues for 2qnz_ligand_2_27.mol2(FDBF01477)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qnz | LEU142 | -0.57 | -0.54 | -1.11 | 0.66 | -0.45 |
| 2qnz | PHE157 | -0.60 | -0.26 | -0.86 | 0.24 | -0.61 |
| 2qnz | SER276 | -1.09 | 0.16 | -0.93 | 0.21 | -0.72 |
| 2qnz | GLY305 | 0.08 | -1.85 | -1.77 | 1.13 | -0.65 |
| 2qnz | ALA306 | 0.05 | -1.40 | -1.35 | 1.04 | -0.32 |
| 2qnz | THR87 | -0.33 | -0.06 | -0.39 | -0.17 | -0.55 |
