› 3k94

X-ray diffraction
2.1Å resolution

Crystal Structure of Thiamin pyrophosphokinase from Geobacillus thermodenitrificans, Northeast Structural Genomics Consortium Target GtR2

Released:
DOI: 10.2210/pdb3k94/pdb
PDB entry 3k94 coloured by chain, front view.
PDB entry 3k94 coloured by chain, side view.
PDB entry 3k94 coloured by chain, top view.
Source organism: Geobacillus thermodenitrificans NG80-2
Entry authors: Kuzin A, Su M, Seetharaman J, Janjua J, Xiao R, Patel DJ, Ciccosanti C, Lee D, 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

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107343 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
thiamine diphosphokinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 223 amino acids
Theoretical weight: 25.48 KDa
Source organism: Geobacillus thermodenitrificans NG80-2
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A4IM54 (Residues: 1-215; Coverage: 100%)
Gene name: GTNG_1032
Sequence domains:
Structure domains: Thiamin pyrophosphokinase, catalytic domain

Ligands and Environments

No bound ligands
2 modified residues:
Ligand MSE 12 x MSE
Ligand CSO 8 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X6A
Spacegroup: P212121
Unit cell:
a: 68.422Å b: 73.652Å c: 82.657Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.177 0.242
Expression system: Escherichia coli BL21(DE3)

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