› 1vqv

X-ray diffraction
2.65Å resolution

Crystal Structure of Thiamine Monophosphate Kinase (thil) from Aquifex Aeolicus

Released:
DOI: 10.2210/pdb1vqv/pdb
PDB entry 1vqv coloured by chain, front view.
PDB entry 1vqv coloured by chain, side view.
PDB entry 1vqv coloured by chain, top view.
Source organism: Aquifex aeolicus
Entry authors: Eswaramoorthy S, Swaminathan S, Burley SK, New York SGX Research Center for Structural Genomics (NYSGXRC)

Function and Biology Details

Reaction catalysed: 
ATP + thiamine phosphate = ADP + thiamine diphosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130581 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thiamine-monophosphate kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 306 amino acids
Theoretical weight: 34.69 KDa
Source organism: Aquifex aeolicus
Expression system: Escherichia coli
UniProt:
  • Canonical: O67883 (Residues: 1-306; Coverage: 100%)
Gene names: aq_2119, thiL
Sequence domains: AIR synthase related protein, N-terminal domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand PO4 4 x PO4
1 modified residue:
Ligand MSE 10 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P43
Unit cell:
a: 65.58Å b: 65.58Å c: 192.06Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.238 0.238 0.26
Expression system: Escherichia coli

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