› 6cj4

X-ray diffraction
1.73Å resolution

CRYSTAL STRUCTURE OF PROTEIN CITE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH MAGNESIUM AND ACETOACETATE

Released:
DOI: 10.2210/pdb6cj4/pdb
PDB entry 6cj4 coloured by chain, front view.
PDB entry 6cj4 coloured by chain, side view.
PDB entry 6cj4 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
An essential bifunctional enzyme in Mycobacterium tuberculosis for itaconate dissimilation and leucine catabolism.
Wang H, Fedorov AA, Fedorov EV, Hunt DM, Rodgers A, Douglas HL, Garza-Garcia A, Bonanno JB, Almo SC, de Carvalho LPS
OpenAccess logo Proc Natl Acad Sci U S A 116 15907-15913 (2019)
PMID: 31320588

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-552397 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Citrate lyase subunit beta-like protein Chain: A
Molecule details ›
Chain: A
Length: 281 amino acids
Theoretical weight: 29.95 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WPE1 (Residues: 1-273; Coverage: 100%)
Gene names: Rv2498c, citE
Sequence domains: HpcH/HpaI aldolase/citrate lyase family

Ligands and Environments

3 bound ligands:
Ligand MG 1 x MG
Ligand ACT 1 x ACT
Ligand AAE 1 x AAE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: R32
Unit cell:
a: 91.673Å b: 91.673Å c: 221.386Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.184 0.183 0.202
Expression system: Escherichia coli

Quick links

Citations

14 review citations

The role of itaconate in host defense and inflammation.
Peace et al. (2022)
13 more

1 mention without citation

An essential bifunctional enzyme in Mycobacterium tuberculosis for itaconate dissimilation and leucine catabolism.
Wang et al. (2019)