MolNFT v1 · #123449 · protein
Phenylalanine hydroxylase from dictyostelium - BH2 complex
5JK5 · Phenylalanine-4-hydroxylase: “Phenylalanine hydroxylase from dictyostelium - BH2 complex”. X-ray diffraction, 3 ligands (PIN, HBI, FE), 13 pockets (best druggability 0.79). MolNFT v1 #123449 on GenesisL1: 3D structure, binding sites…
- PDB
- 5JK5
- Type
- protein
- Length
- 791 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, FE
- Pockets
- 13 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 42% 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 | 400 | 43% helix, 19% strand | Q54XS1 |
| B | Phenylalanine-4-hydroxylase (EC 1.14.16.1, 1.14.16.4) | protein | 391 | 42% helix, 18% 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
- 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
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 800 | 0.79 | 0.82 | 99 | empty |
| 2 | 442 | 0.73 | 0.83 | 41 | HBI |
| 3 | 413 | 0.72 | 0.83 | 71 | PIN |
| 4 | 323 | 0.70 | 0.83 | 39 | FE, HBI |
| 5 | 148 | 0.45 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1653 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 5JK5 · PDBe 5JK5 · UniProt Q54XS1
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