sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.530 Å
X-ray
2006-05-26
| Name: | Bifunctional purine biosynthesis protein PURH |
|---|---|
| ID: | PUR9_CHICK |
| AC: | P31335 |
| Organism: | Gallus gallus |
| Reign: | Eukaryota |
| TaxID: | 9031 |
| EC Number: | 2.1.2.3 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 51.993 |
|---|---|
| Number of residues: | 15 |
| Including | |
| Standard Amino Acids: | 15 |
| Non Standard Amino Acids: | 0 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | |
| Ligandability | Volume (Å3) |
|---|---|
| 0.335 | 580.500 |
| % Hydrophobic | % Polar |
|---|---|
| 33.14 | 66.86 |
| According to VolSite | |
| HET Code: | 203 |
|---|---|
| Formula: | C4H4N4O3S |
| Molecular weight: | 188.165 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 44.2 % |
| Polar Surface area: | 112.32 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 4 |
| H-Bond Donors: | 3 |
| Rings: | 2 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 0 |
| X | Y | Z |
|---|---|---|
| 177.411 | 0.628083 | 25.2984 |
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 |
| N10 | OG | SER- 11 | 3.15 | 123.69 | H-Bond (Ligand Donor) |
| O21 | NZ | LYS- 15 | 2.63 | 157.32 | H-Bond (Protein Donor) |
| N15 | OG1 | THR- 38 | 2.77 | 134.33 | H-Bond (Ligand Donor) |
| N12 | NZ | LYS- 67 | 2.82 | 170.33 | H-Bond (Protein Donor) |
| DuAr | NZ | LYS- 67 | 3.85 | 74.41 | Pi/Cation |
