› 7zij

X-ray diffraction
1.95Å resolution

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-05-080

Released:
DOI: 10.2210/pdb7zij/pdb
PDB entry 7zij coloured by chain, front view.
PDB entry 7zij coloured by chain, side view.
PDB entry 7zij coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.
Specker E, Matthes S, Wesolowski R, Schütz A, Grohmann M, Alenina N, Pleimes D, Mallow K, Neuenschwander M, Gogolin A, Weise M, Pfeifer J, Ziebart N, Heinemann U, von Kries JP, Nazaré M, Bader M
J Med Chem 65 11126-11149 (2022)
PMID: 35921615

Function and Biology Details

Reaction catalysed: 
L-tryptophan + tetrahydrobiopterin + O(2) = 5-hydroxy-L-tryptophan + 4a-hydroxytetrahydrobiopterin
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148158 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tryptophan 5-hydroxylase 1 Chain: A
Molecule details ›
Chain: A
Length: 326 amino acids
Theoretical weight: 37.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P17752 (Residues: 105-401; Coverage: 67%)
Gene names: TPH, TPH1, TPRH, TRPH
Sequence domains: Biopterin-dependent aromatic amino acid hydroxylase

Ligands and Environments

2 bound ligands:
Ligand IVW 1 x IVW
Ligand FE 1 x FE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P21
Unit cell:
a: 47.05Å b: 57.65Å c: 69.481Å
α: 90° β: 109.714° γ: 90°
R-values:
R R work R free
0.188 0.186 0.226
Expression system: Escherichia coli

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Citations

1 review citation

COVID-19-induced neurological symptoms: focus on the role of metal ions.
Zhang et al. (2023)
1 other article