MolNFT v1 · #123452 · protein
Phenylalanine hydroxylase from dictyostelium - BH2, norleucine complex
5JK8 · Phenylalanine-4-hydroxylase: “Phenylalanine hydroxylase from dictyostelium - BH2, norleucine complex”. X-ray diffraction, 4 ligands (PIN, HBI, NLE), 11 pockets (best druggability 0.74). MolNFT v1 #123452 on GenesisL1: 3D structure…
- PDB
- 5JK8
- Type
- protein
- Length
- 775 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylalanine-4-hydroxylase
- EC
- 1.14.16.1, 1.14.16.4
- UniProt
- Q54XS1
- Ligands
- PIN, HBI, NLE, FE
- Pockets
- 11 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylalanine-4-hydroxylase (EC 1.14.16.1, 1.14.16.4) | protein | 390 | 42% helix, 19% strand | Q54XS1 |
| B | Phenylalanine-4-hydroxylase (EC 1.14.16.1, 1.14.16.4) | protein | 385 | 43% helix, 19% strand | Q54XS1 |
Ligands and binding sites
- PIN · Piperazine-N,N'-bis(2-ethanesulfonic acid) · ligand · 2 copies · chains A, B
- HBI · 7,8-dihydrobiopterin · ligand · 2 copies · chains A, B
- NLE · Norleucine · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 589 | 0.74 | 0.81 | 60 | HBI, NLE |
| 2 | 614 | 0.72 | 0.80 | 65 | empty |
| 3 | 301 | 0.69 | 0.83 | 37 | HBI, FE, NLE |
| 4 | 133 | 0.69 | 0.90 | 27 | empty |
| 5 | 186 | 0.67 | 0.86 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 1611 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5JK8 · Phenylalanine hydroxylase from dictyostelium - BH2, norleucine complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q54XS1 · AlphaFold monomer V2.0 prediction for phenylalanine-4-hydroxylase (Q54XS1) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q54XS1
- Elsewhere: RCSB PDB 5JK8 · PDBe 5JK8 · UniProt Q54XS1
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