sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
2.000 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: | 20.776 |
|---|---|
| Number of residues: | 20 |
| Including | |
| Standard Amino Acids: | 19 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | FE |
| Ligandability | Volume (Å3) |
|---|---|
| 0.760 | 408.375 |
| % Hydrophobic | % Polar |
|---|---|
| 56.20 | 43.80 |
| According to VolSite | |
| HET Code: | LNR |
|---|---|
| Formula: | C8H12NO3 |
| Molecular weight: | 170.186 g/mol |
| DrugBank ID: | DB00368 |
| Buried Surface Area: | 40.25 % |
| Polar Surface area: | 88.33 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 3 |
| H-Bond Donors: | 4 |
| Rings: | 1 |
| Aromatic rings: | 1 |
| Anionic atoms: | 0 |
| Cationic atoms: | 1 |
| Rule of Five Violation: | 0 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -4.459 | 25.5337 | 4.94883 |
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 |
| CAL | CD1 | LEU- 248 | 3.86 | 0 | Hydrophobic |
| CAG | CG | PRO- 281 | 4.42 | 0 | Hydrophobic |
| OAB | OH | TYR- 325 | 2.65 | 156.55 | H-Bond (Ligand Donor) |
| CAI | CG | GLU- 330 | 4.23 | 0 | Hydrophobic |
| OAC | FE | FE- 425 | 2 | 0 | Metal Acceptor |
| OAB | FE | FE- 425 | 2.12 | 0 | Metal Acceptor |
| DuAr | FE | FE- 425 | 3.97 | 93.17 | Pi/Cation |
