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: | 18.852 |
|---|---|
| Number of residues: | 19 |
| Including | |
| Standard Amino Acids: | 18 |
| Non Standard Amino Acids: | 1 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | FE |
| Ligandability | Volume (Å3) |
|---|---|
| 1.029 | 394.875 |
| % Hydrophobic | % Polar |
|---|---|
| 61.54 | 38.46 |
| According to VolSite | |
| HET Code: | XDE |
|---|---|
| Formula: | C9H14NO3 |
| Molecular weight: | 184.212 g/mol |
| DrugBank ID: | - |
| Buried Surface Area: | 44.73 % |
| Polar Surface area: | 77.3 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: | 3 |
| X | Y | Z |
|---|---|---|
| -4.86 | 25.4569 | 5.35715 |
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 |
| C9 | CD1 | LEU- 248 | 3.58 | 0 | Hydrophobic |
| C7 | CD1 | LEU- 248 | 3.88 | 0 | Hydrophobic |
| C9 | CB | PHE- 254 | 4.3 | 0 | Hydrophobic |
| O2 | OH | TYR- 325 | 2.61 | 164.49 | H-Bond (Ligand Donor) |
| C4 | CG | GLU- 330 | 4.14 | 0 | Hydrophobic |
| O1 | FE | FE- 425 | 2.04 | 0 | Metal Acceptor |
| O2 | FE | FE- 425 | 2.16 | 0 | Metal Acceptor |
| DuAr | FE | FE- 425 | 3.99 | 85.47 | Pi/Cation |
