sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.150 Å
X-ray
2004-03-18
| Name: | 4-hydroxyphenylpyruvate dioxygenase |
|---|---|
| ID: | HPPD_RAT |
| AC: | P32755 |
| Organism: | Rattus norvegicus |
| Reign: | Eukaryota |
| TaxID: | 10116 |
| EC Number: | / |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| B | 100 % |
| B-Factor: | 34.458 |
|---|---|
| Number of residues: | 29 |
| Including | |
| Standard Amino Acids: | 28 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | FE |
| Ligandability | Volume (Å3) |
|---|---|
| 1.282 | 823.500 |
| % Hydrophobic | % Polar |
|---|---|
| 61.07 | 38.93 |
| According to VolSite | |
| HET Code: | 869 |
|---|---|
| Formula: | C23H25N2O5S |
| Molecular weight: | 441.520 g/mol |
| DrugBank ID: | DB02850 |
| Buried Surface Area: | 61.42 % |
| Polar Surface area: | 109.7 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 6 |
| H-Bond Donors: | 0 |
| Rings: | 3 |
| Aromatic rings: | 3 |
| Anionic atoms: | 1 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 6 |
| X | Y | Z |
|---|---|---|
| 7.45003 | 19.0588 | 27.9547 |
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 |
| C21 | CG2 | VAL- 185 | 4.16 | 0 | Hydrophobic |
| C22 | CG2 | VAL- 185 | 4.14 | 0 | Hydrophobic |
| C21 | CB | SER- 226 | 4.46 | 0 | Hydrophobic |
| C23 | CB | SER- 226 | 4.05 | 0 | Hydrophobic |
| C23 | CG2 | VAL- 228 | 4.46 | 0 | Hydrophobic |
| C22 | CB | PRO- 239 | 3.36 | 0 | Hydrophobic |
| C31 | CD1 | LEU- 289 | 4.39 | 0 | Hydrophobic |
| C14 | CD1 | LEU- 289 | 4.18 | 0 | Hydrophobic |
| C24 | CD1 | LEU- 289 | 3.58 | 0 | Hydrophobic |
| C14 | CD1 | LEU- 323 | 3.87 | 0 | Hydrophobic |
| C25 | CB | PHE- 336 | 4.44 | 0 | Hydrophobic |
| C7 | CE2 | PHE- 336 | 3.74 | 0 | Hydrophobic |
| C14 | CD1 | PHE- 336 | 3.29 | 0 | Hydrophobic |
| DuAr | DuAr | PHE- 336 | 4 | 0 | Aromatic Edge/Face |
| DuAr | DuAr | PHE- 336 | 4 | 0 | Aromatic Edge/Face |
| C31 | CE2 | PHE- 347 | 3.83 | 0 | Hydrophobic |
| C7 | CZ | PHE- 347 | 4.3 | 0 | Hydrophobic |
| C22 | CG | PHE- 359 | 3.68 | 0 | Hydrophobic |
| C20 | CB | PHE- 359 | 4.1 | 0 | Hydrophobic |
| C4 | CB | ASN- 363 | 4.36 | 0 | Hydrophobic |
| C4 | CB | PHE- 364 | 4.28 | 0 | Hydrophobic |
| C7 | CE1 | PHE- 364 | 4.39 | 0 | Hydrophobic |
| O19 | FE | FE- 1452 | 2.09 | 0 | Metal Acceptor |
| O10 | FE | FE- 1452 | 1.93 | 0 | Metal Acceptor |
