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
2002-09-04
| 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: | 19.224 |
|---|---|
| Number of residues: | 27 |
| Including | |
| Standard Amino Acids: | 25 |
| Non Standard Amino Acids: | 2 |
| Water Molecules: | 0 |
| Cofactors: | |
| Metals: | FE2 |
| Ligandability | Volume (Å3) |
|---|---|
| 0.857 | 367.875 |
| % Hydrophobic | % Polar |
|---|---|
| 49.54 | 50.46 |
| According to VolSite | |
| HET Code: | H4B |
|---|---|
| Formula: | C9H15N5O3 |
| Molecular weight: | 241.247 g/mol |
| DrugBank ID: | DB00360 |
| Buried Surface Area: | 79.13 % |
| Polar Surface area: | 132 Å2 |
| Number of | |
|---|---|
| H-Bond Acceptors: | 7 |
| H-Bond Donors: | 6 |
| Rings: | 2 |
| Aromatic rings: | 0 |
| Anionic atoms: | 0 |
| Cationic atoms: | 0 |
| Rule of Five Violation: | 1 |
| Rotatable Bonds: | 2 |
| X | Y | Z |
|---|---|---|
| -4.86276 | 25.0086 | 7.34047 |
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 |
| N2 | O | GLY- 247 | 3.24 | 134.53 | H-Bond (Ligand Donor) |
| C7 | CD1 | LEU- 248 | 3.95 | 0 | Hydrophobic |
| N1 | N | LEU- 249 | 3.12 | 169.06 | H-Bond (Protein Donor) |
| N8 | O | LEU- 249 | 2.96 | 150.74 | H-Bond (Ligand Donor) |
| C11 | CB | SER- 251 | 4.17 | 0 | Hydrophobic |
| O10 | OG | SER- 251 | 2.78 | 166.65 | H-Bond (Protein Donor) |
| C7 | CB | PHE- 254 | 4.08 | 0 | Hydrophobic |
| C11 | CD2 | PHE- 254 | 3.71 | 0 | Hydrophobic |
| C6 | CD2 | PHE- 254 | 3.63 | 0 | Hydrophobic |
| C11 | CD2 | LEU- 255 | 3.99 | 0 | Hydrophobic |
| N3 | OE1 | GLU- 286 | 3.16 | 163.93 | H-Bond (Ligand Donor) |
| O4 | OE2 | GLU- 286 | 3.05 | 164.98 | H-Bond (Protein Donor) |
| C9 | CE2 | TYR- 325 | 3.81 | 0 | Hydrophobic |
| C10 | CD2 | TYR- 325 | 3.71 | 0 | Hydrophobic |
