› 3o63

X-ray diffraction
2.35Å resolution

Crystal Structure of Thiamin Phosphate Synthase from Mycobacterium tuberculosis

Released:
DOI: 10.2210/pdb3o63/pdb
PDB entry 3o63 coloured by chain, front view.
PDB entry 3o63 coloured by chain, side view.
PDB entry 3o63 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis
Entry authors: McCulloch KM, Ramamoorthy D, Ishida K, Guida WC, Begley TP, Ealick SE

Function and Biology Details

Reaction catalysed: 
4-amino-2-methyl-5-diphosphomethylpyrimidine + 2-((2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene)ethyl phosphate = diphosphate + thiamine phosphate + CO(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161466 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thiamine-phosphate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 243 amino acids
Theoretical weight: 25.71 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WG75 (Residues: 1-222; Coverage: 100%)
Gene names: MTCY22G10.11c, Rv0414c, thiE
Sequence domains: Thiamine monophosphate synthase
Structure domains: Aldolase class I

Ligands and Environments

1 bound ligand:
Ligand PO4 2 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: C2221
Unit cell:
a: 83.61Å b: 91.37Å c: 124.62Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.207 0.264
Expression system: Escherichia coli

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