sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.100 Å
X-ray
1998-08-20
| Name: | Phenylalanine-4-hydroxylase |
|---|---|
| ID: | PH4H_HUMAN |
| AC: | P00439 |
| Organism: | Homo sapiens |
| Reign: | Eukaryota |
| TaxID: | 9606 |
| EC Number: | 1.14.16.1 |
| Chain Name: | Percentage of Residues within binding site |
|---|---|
| A | 100 % |
| B-Factor: | 21.548 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 19 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | FE |
| Ligandability | Volume (Å3) |
|---|---|
| 0.830 | 425.250 |
| % Hydrophobic | % Polar |
|---|---|
| 54.76 | 45.24 |
| According to VolSite | |
| HET Code: | LDP |
|---|---|
| Formula: | C8H12NO2 |
| Molecular weight: | 154.186 g/mol |
| DrugBank ID: | DB00988 |
| Buried Surface Area: | 41.86 % |
| Polar Surface area: | 68.1 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 2 |
| H-Bond Donors: | 3 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -4.39127 | 25.5377 | 5.17364 |
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 |
| C7 | CD1 | LEU- 248 | 4.08 | 0 | Hydrophobic |
| C2 | CG | PRO- 281 | 4.37 | 0 | Hydrophobic |
| O2 | OH | TYR- 325 | 2.73 | 158.65 | H-Bond (Protein Donor) |
| C4 | CG | GLU- 330 | 4.34 | 0 | Hydrophobic |
| O1 | FE | FE- 425 | 1.85 | 0 | Metal Acceptor |
| O2 | FE | FE- 425 | 2.29 | 0 | Metal Acceptor |
| DuAr | FE | FE- 425 | 3.94 | 93.18 | Pi/Cation |
