2php

X-ray diffraction
2.03Å resolution

Crystal structure of the C-terminal domain of protein MJ0236 (Y236_METJA)

Released:
Entry authors: Eswaramoorthy S, Burley SK, Swaminathan S, New York SGX Research Center for Structural Genomics (NYSGXRC)

Function and Biology Details

Reactions catalysed:
4-amino-2-methyl-5-diphosphomethylpyrimidine + 2-((2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene)ethyl phosphate = diphosphate + thiamine phosphate + CO(2)
ATP + 4-amino-5-hydroxymethyl-2-methylpyrimidine = ADP + 4-amino-2-methyl-5-(phosphomethyl)pyrimidine
ATP + 4-amino-2-methyl-5-(phosphooxymethyl)pyrimidine = ADP + 4-amino-2-methyl-5-(diphosphooxymethyl)pyrimidine
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
PDBe Complex ID:
PDB-CPX-176456 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional thiamine biosynthesis protein ThiDN Chains: A, B, D, E
Molecule details ›
Chains: A, B, D, E
Length: 192 amino acids
Theoretical weight: 21.86 KDa
Source organism: Methanocaldococcus jannaschii DSM 2661
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q57688 (Residues: 236-416; Coverage: 43%)
Gene names: MJ0236, thiDN
Sequence domains: Thiamine-phosphate synthase
Structure domains: Class II aldolase/adducin N-terminal domain

Ligands and Environments

1 bound ligand:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X12C
Spacegroup: C2
Unit cell:
a: 147.077Å b: 112.141Å c: 67.253Å
α: 90° β: 109.28° γ: 90°
R-values:
R R work R free
0.216 0.216 0.238
Expression system: Escherichia coli BL21(DE3)