Binding information for 2qzl_ligand_frag_0.mol2(FDBF01539)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2qzl_ligand_frag_0.mol2 | 2qzl | 1 | -5.46 | O=S(=O)(NC)C | 6 |
Structure and binding mode of 2qzl_ligand_frag_0.mol2(FDBF01539)
Important binding residues for 2qzl_ligand_frag_0.mol2(FDBF01539)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2qzl | GLN73 | -0.71 | 0.47 | -0.24 | -0.19 | -0.43 |
| 2qzl | THR231 | -0.86 | -1.06 | -1.92 | 0.62 | -1.30 |
| 2qzl | THR232 | -0.94 | -1.49 | -2.43 | 0.84 | -1.58 |
| 2qzl | ASN233 | -1.74 | -2.30 | -4.04 | 1.26 | -2.77 |
| 2qzl | ARG235 | -1.41 | -1.09 | -2.5 | 0.68 | -1.81 |
