› 3s4y

X-ray diffraction
1.8Å resolution

Crystal structure of human thiamin pyrophosphokinase 1

Released:
DOI: 10.2210/pdb3s4y/pdb
PDB entry 3s4y coloured by chain, front view.
PDB entry 3s4y coloured by chain, side view.
PDB entry 3s4y coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Shen L, Tempel W, Tong Y, Li Y, Walker JR, Arrowsmith CH, Edwards AM, Bountra C, Weigelt J, Park H, Structural Genomics Consortium (SGC)

Function and Biology Details

Reaction catalysed: 
ATP + thiamine = AMP + thiamine diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190588 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thiamin pyrophosphokinase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 247 amino acids
Theoretical weight: 27.92 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9H3S4 (Residues: 15-243; Coverage: 94%)
Gene name: TPK1
Sequence domains:
Structure domains: Thiamin pyrophosphokinase, catalytic domain

Ligands and Environments

4 bound ligands:
Ligand TPP 2 x TPP
Ligand SO4 5 x SO4
Ligand CA 2 x CA
Ligand UNX 9 x UNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: C2
Unit cell:
a: 93.7Å b: 97.39Å c: 63.65Å
α: 90° β: 113.08° γ: 90°
R-values:
R R work R free
0.174 0.172 0.203
Expression system: Escherichia coli

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