› 3lm8

X-ray diffraction
2.6Å resolution

Crystal Structure of Thiamine pyrophosphokinase from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR677

Released:
DOI: 10.2210/pdb3lm8/pdb
PDB entry 3lm8 coloured by chain, front view.
PDB entry 3lm8 coloured by chain, side view.
PDB entry 3lm8 coloured by chain, top view.
Source organism: Bacillus subtilis
Entry authors: Kuzin A, Abashidze M, Seetharaman J, Mao M, Xiao R, Foote EL, Ciccosanti C, Wang H, Everett JK, Nair R, Acton TB, Rost B, 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:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-128575 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thiamine pyrophosphokinase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 222 amino acids
Theoretical weight: 25.37 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O34664 (Residues: 1-214; Coverage: 100%)
Gene names: BSU15800, thiN, yloS
Sequence domains:
Structure domains: Thiamin pyrophosphokinase, catalytic domain

Ligands and Environments

3 bound ligands:
Ligand VIB 4 x VIB
Ligand PO4 4 x PO4
Ligand MG 5 x MG
1 modified residue:
Ligand MSE 12 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4C
Spacegroup: P1
Unit cell:
a: 48.943Å b: 62.153Å c: 84.161Å
α: 82.89° β: 82.02° γ: 87.61°
R-values:
R R work R free
0.213 0.213 0.253
Expression system: Escherichia coli BL21(DE3)

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