Binding information for 2qzl_ligand_2_77.mol2(FDBF00034)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qzl_ligand_2_77.mol2 | 2qzl | 1 | -6.21 | C(=O)NCC(C)C | 7 |
Structure and binding mode of 2qzl_ligand_2_77.mol2(FDBF00034)
Important binding residues for 2qzl_ligand_2_77.mol2(FDBF00034)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qzl | GLY34 | -0.52 | -2.64 | -3.16 | 2.21 | -0.95 |
| 2qzl | SER35 | -1.03 | 0.15 | -0.88 | 0.03 | -0.85 |
| 2qzl | VAL69 | -0.38 | 0.12 | -0.26 | -0.21 | -0.47 |
| 2qzl | TYR71 | -1.68 | -2.34 | -4.02 | 1.45 | -2.58 |
| 2qzl | THR72 | -0.46 | -1.55 | -2.01 | 1.03 | -0.97 |
