› 1xg3

X-ray diffraction
1.9Å resolution

Crystal structure of the C123S 2-methylisocitrate lyase mutant from Escherichia coli in complex with the reaction product, Mg(II)-pyruvate and succinate

Released:
DOI: 10.2210/pdb1xg3/pdb
PDB entry 1xg3 coloured by chain, front view.
PDB entry 1xg3 coloured by chain, side view.
PDB entry 1xg3 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Crystal structures of 2-methylisocitrate lyase in complex with product and with isocitrate inhibitor provide insight into lyase substrate specificity, catalysis and evolution.
Liu S, Lu Z, Han Y, Melamud E, Dunaway-Mariano D, Herzberg O
Biochemistry 44 2949-62 (2005)
PMID: 15723538

Function and Biology Details

Reaction catalysed: 
(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate = pyruvate + succinate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160179 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-methylisocitrate lyase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 295 amino acids
Theoretical weight: 32.02 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P77541 (Residues: 2-296; Coverage: 100%)
Gene names: JW0323, b0331, prpB, yahQ
Sequence domains: Phosphoenolpyruvate phosphomutase
Structure domains: Phosphoenolpyruvate-binding domains

Ligands and Environments

3 bound ligands:
Ligand MG 4 x MG
Ligand PYR 4 x PYR
Ligand SIN 3 x SIN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: C2
Unit cell:
a: 159.358Å b: 85.993Å c: 99.597Å
α: 90° β: 108.28° γ: 90°
R-values:
R R work R free
0.161 0.161 0.195
Expression system: Escherichia coli BL21(DE3)

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Citations

15 citation in other articles

Role of the methylcitrate cycle in Mycobacterium tuberculosis metabolism, intracellular growth, and virulence.
Muñoz-Elías et al. (2006)
14 more