MolNFT v1 · #74907 · protein
Human phenylalanine hydroxylase catalytic domain dimer with bound adrenaline inhibitor
3PAH: “Human phenylalanine hydroxylase catalytic domain dimer with bound adrenaline inhibitor”. X-ray diffraction, 2 ligands (XDE, FE), 2 pockets (best druggability 0.72). MolNFT v1 #74907 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3PAH
- Type
- protein
- Length
- 308 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phenylalanine hydroxylase
- EC
- 1.14.16.1
- UniProt
- P00439
- Ligands
- XDE, FE
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phenylalanine hydroxylase (EC 1.14.16.1) | protein | 308 | 49% helix, 13% strand | P00439 |
Ligands and binding sites
- XDE · 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol · ligand · chains A
- FE · Fe (III) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 640 | 0.72 | 0.79 | 56 | FE, XDE |
| 2 | 52 | 0.35 | 0.79 | 13 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3PAH · Human phenylalanine hydroxylase catalytic domain dimer with bound adrenaline inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P00439 · AlphaFold monomer V2.0 prediction for phenylalanine-4-hydroxylase (P00439) · 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 P00439
- Elsewhere: RCSB PDB 3PAH · PDBe 3PAH · UniProt P00439
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