› 6r6u

X-ray diffraction
1.7Å resolution

Crystal structure of human cis-aconitate decarboxylase

Released:
DOI: 10.2210/pdb6r6u/pdb
PDB entry 6r6u coloured by chain, front view.
PDB entry 6r6u coloured by chain, side view.
PDB entry 6r6u coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of cis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Chen F, Lukat P, Iqbal AA, Saile K, Kaever V, van den Heuvel J, Blankenfeldt W, Büssow K, Pessler F
Proc Natl Acad Sci U S A 116 20644-20654 (2019)
PMID: 31548418

Function and Biology Details

Reaction catalysed: 
Cis-aconitate = itaconate + CO(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-108001 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cis-aconitate decarboxylase Chains: A, B
Molecule details ›
Chains: A, B
Length: 462 amino acids
Theoretical weight: 50.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A6NK06 (Residues: 4-461; Coverage: 95%)
Gene names: ACOD1, IRG1
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand BU3 4 x BU3
Ligand NA 6 x NA
1 modified residue:
Ligand CSD 2 x CSD

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21212
Unit cell:
a: 102.01Å b: 109.98Å c: 74.974Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.146 0.145 0.162
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

ACOD1 in immunometabolism and disease.
Wu et al. (2020)
5 more

4 mentions without citation

Crystal structure of cis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis.
Chen et al. (2019)
3 more