Binding information for 1tqf_ligand_frag_1.mol2(FDBF00283)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tqf_ligand_frag_1.mol2 | 1tqf | 1 | -5.15 | S(=O)O | 3 |
Structure and binding mode of 1tqf_ligand_frag_1.mol2(FDBF00283)
Important binding residues for 1tqf_ligand_frag_1.mol2(FDBF00283)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tqf | THR231 | -0.44 | -0.97 | -1.41 | 0.49 | -0.92 |
| 1tqf | THR232 | -0.56 | -1.57 | -2.13 | 0.66 | -1.48 |
| 1tqf | ASN233 | -1.27 | -1.53 | -2.8 | 0.02 | -2.78 |
| 1tqf | ARG235 | -0.58 | 1.15 | 0.57 | -1.43 | -0.86 |
