Research workbench
Structural and thermodynamic insight into phenylalanine hydroxylase from the human pathogen legionella pneumophila
Analyse Structural and thermodynamic insight into phenylalanine hydroxylase from the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4BPT
- Type
- protein
- Length
- 973 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylalanine-4-hydroxylase (pah) (phe-4-monooxygenase)
- EC
- 1.14.16.1
- UniProt
- I7HM43
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Phenylalanine-4-hydroxylase (pah) (phe-4-monooxygenase) (EC 1.14.16.1) | protein | 252 | 49% helix, 11% strand | I7HM43 |
| C | Phenylalanine-4-hydroxylase (pah) (phe-4-monooxygenase) (EC 1.14.16.1) | protein | 232 | 49% helix, 12% strand | I7HM43 |
| D | Phenylalanine-4-hydroxylase (pah) (phe-4-monooxygenase) (EC 1.14.16.1) | protein | 237 | 49% helix, 12% strand | I7HM43 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 586 | 0.74 | 0.82 | 54 | empty |
| 2 | 414 | 0.72 | 0.82 | 39 | PEG |
| 3 | 422 | 0.72 | 0.82 | 39 | PEG |
| 4 | 468 | 0.70 | 0.80 | 42 | empty |
| 5 | 476 | 0.65 | 0.77 | 45 | empty |
Interfaces
4 interfaces between chains.
- B–C · 974 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 966 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 293 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 46 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4BPT · Structural and thermodynamic insight into phenylalanine hydroxylase from the human… · the same entry in another collection · chain A against A, TM-score 1.00
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 I7HM43
- Elsewhere: RCSB PDB 4BPT · PDBe 4BPT · UniProt I7HM43
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