› 6xpp

X-ray diffraction
1.55Å resolution

Crystal structure of itaconate modified Mycobaterium tuberculosis isocitrate lyase

Released:
DOI: 10.2210/pdb6xpp/pdb
PDB entry 6xpp coloured by chain, front view.
PDB entry 6xpp coloured by chain, side view.
PDB entry 6xpp coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Itaconate is a covalent inhibitor of the Mycobacterium tuberculosis isocitrate lyase.
Kwai BXC, Collins AJ, Middleditch MJ, Sperry J, Bashiri G, Leung IKH
RSC Med Chem 12 57-61 (2021)
PMID: 34046597

Function and Biology Details

Reaction catalysed: 
Isocitrate = succinate + glyoxylate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161751 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Isocitrate lyase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 428 amino acids
Theoretical weight: 47.13 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WKK7 (Residues: 1-428; Coverage: 100%)
Gene names: MTV038.11, Rv0467, icl
Sequence domains: Isocitrate lyase family

Ligands and Environments

2 bound ligands:
Ligand ITN 4 x ITN
Ligand MG 8 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P212121
Unit cell:
a: 79.314Å b: 133.171Å c: 159.318Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.158 0.179
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Targeting Non-Replicating Mycobacterium tuberculosis and Latent Infection: Alternatives and Perspectives (Mini-Review).
Egorova et al. (2021)
3 more

3 mentions without citation

An Outline of the Latest Crystallographic Studies on Inhibitor-Enzyme Complexes for the Design and Development of New Therapeutics against Tuberculosis.
Mori et al. (2021)
2 more