› 6boo

X-ray diffraction
2.6Å resolution

Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus with oxaloacetate and coenzyme-A.

Released:
DOI: 10.2210/pdb6boo/pdb
PDB entry 6boo coloured by chain, front view.
PDB entry 6boo coloured by chain, side view.
PDB entry 6boo coloured by chain, top view.
Source organism: Aspergillus fumigatus A1163
Primary publication:
Comparative studies of Aspergillus fumigatus 2-methylcitrate synthase and human citrate synthase.
Schlachter CR, Klapper V, Radford T, Chruszcz M
Biol Chem 400 1567-1581 (2019)
PMID: 31141475

Function and Biology Details

Reactions catalysed: 
Acetyl-CoA + H(2)O + oxaloacetate = citrate + CoA
Propanoyl-CoA + H(2)O + oxaloacetate = (2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate + CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-109272 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-methylcitrate synthase, mitochondrial Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 441 amino acids
Theoretical weight: 48.56 KDa
Source organism: Aspergillus fumigatus A1163
Expression system: Escherichia coli
UniProt:
  • Canonical: B0YD89 (Residues: 29-465; Coverage: 94%)
Gene names: AFUB_094700, mcsA
Sequence domains: Citrate synthase, C-terminal domain
Structure domains:

Ligands and Environments


Cofactor: Ligand COA 2 x COA
1 bound ligand:
Ligand OAA 5 x OAA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 92.882Å b: 68.785Å c: 123.997Å
α: 90° β: 89.93° γ: 90°
R-values:
R R work R free
0.201 0.199 0.237
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Pathogenicity and virulence of Aspergillus fumigatus.
Earle et al. (2023)
2 more