› 3l8m

X-ray diffraction
2.4Å resolution

Crystal Structure of a probable thiamine pyrophosphokinase from Staphylococcus saprophyticus subsp. saprophyticus. Northeast Structural Genomics Consortium target id SyR86

Released:
DOI: 10.2210/pdb3l8m/pdb
PDB entry 3l8m coloured by chain, front view.
PDB entry 3l8m coloured by chain, side view.
PDB entry 3l8m coloured by chain, top view.
Source organism: Staphylococcus saprophyticus subsp. saprophyticus ATCC 15305 = NCTC 7292
Entry authors: Seetharaman J, Lew S, Wang D, Janjua H, Cunningham K, Owens L, Xiao R, Liu J, Baran MC, Acton TB, Montelione GT, Hunt JF, Tong L, Northeast Structural Genomics Consortium (NESG)

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo hexamer
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175419 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
thiamine diphosphokinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 212 amino acids
Theoretical weight: 24.22 KDa
Source organism: Staphylococcus saprophyticus subsp. saprophyticus ATCC 15305 = NCTC 7292
Expression system: Escherichia coli
UniProt:
  • Canonical: Q49X04 (Residues: 1-211; Coverage: 100%)
Gene name: SSP1549
Sequence domains:
Structure domains: Thiamin pyrophosphokinase, catalytic domain

Ligands and Environments

1 bound ligand:
Ligand NA 3 x NA
1 modified residue:
Ligand MSE 8 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P63
Unit cell:
a: 101.873Å b: 101.873Å c: 88.024Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.238 0.238 0.271
Expression system: Escherichia coli

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