Binding information for 4dpf_ligand_frag_0.mol2(FDBF01539)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dpf_ligand_frag_0.mol2 | 4dpf | 1 | -5.48 | O=S(=O)(NC)C | 6 |
Structure and binding mode of 4dpf_ligand_frag_0.mol2(FDBF01539)
Important binding residues for 4dpf_ligand_frag_0.mol2(FDBF01539)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dpf | THR279 | -0.82 | -1.05 | -1.87 | 0.69 | -1.19 |
| 4dpf | THR280 | -0.69 | -1.59 | -2.28 | 0.77 | -1.51 |
| 4dpf | ASN281 | -1.65 | -2.47 | -4.12 | 1.04 | -3.09 |
