› 1xg4

X-ray diffraction
1.6Å resolution

Crystal Structure of the C123S 2-Methylisocitrate Lyase Mutant from Escherichia coli in complex with the inhibitor isocitrate

Released:
DOI: 10.2210/pdb1xg4/pdb
PDB entry 1xg4 coloured by chain, front view.
PDB entry 1xg4 coloured by chain, side view.
PDB entry 1xg4 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

2 bound ligands:
Ligand MG 3 x MG
Ligand ICT 3 x ICT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: C2
Unit cell:
a: 159.061Å b: 84.561Å c: 99.756Å
α: 90° β: 108.15° γ: 90°
R-values:
R R work R free
0.181 0.181 0.201
Expression system: Escherichia coli BL21(DE3)

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Citations

14 citation in other articles

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

1 mention without citation

Demystifying the catalytic pathway of Mycobacterium tuberculosis isocitrate lyase.
Ibeji et al. (2020)