2.050 Å
X-ray
2015-08-21
| Name: | Uric acid degradation bifunctional protein |
|---|---|
| ID: | PUCL_BACSB |
| AC: | Q45697 |
| Organism: | Bacillus sp. |
| Reign: | Bacteria |
| TaxID: | 36824 |
| EC Number: | 1.7.3.3 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 58 % |
| B | 42 % |
| B-Factor: | 26.356 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 24 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 3 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.112 | 654.750 |
| % Hydrophobic | % Polar |
|---|---|
| 34.02 | 65.98 |
| According to VolSite | |

| HET Code: | MUA |
|---|---|
| Formula: | C6H6N4O3 |
| Molecular weight: | 182.137 g/mol |
| DrugBank ID: | DB03293 |
| Buried Surface Area: | 76.79 % |
| Polar Surface area: | 90.54 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 14.5764 | 28.2961 | 68.9665 |
Image generated by PoseView
Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand
| Ligand | Protein | Interaction | |||
|---|---|---|---|---|---|
| Atom | Atom | Residue | Distance (Å) | Angle (°) | Type |
| N7 | N | THR- 73 | 3.07 | 166.02 | H-Bond (Protein Donor) |
| N7 | OG1 | THR- 73 | 3.13 | 127.1 | H-Bond (Protein Donor) |
| O8 | OG1 | THR- 73 | 3.26 | 163.96 | H-Bond (Protein Donor) |
| O8 | N | ASP- 74 | 3.07 | 154.02 | H-Bond (Protein Donor) |
| C10 | CD2 | PHE- 184 | 3.84 | 0 | Hydrophobic |
| C10 | CD2 | LEU- 195 | 3.69 | 0 | Hydrophobic |
| O2 | NH2 | ARG- 201 | 2.67 | 156.45 | H-Bond (Protein Donor) |
| O2 | N | ILE- 249 | 2.6 | 153.73 | H-Bond (Protein Donor) |
| N1 | OE1 | GLN- 250 | 2.84 | 179.3 | H-Bond (Ligand Donor) |
| O6 | NE2 | GLN- 250 | 2.94 | 161.06 | H-Bond (Protein Donor) |