› 3cux

X-ray diffraction
1.7Å resolution

Atomic Resolution Structures of Escherichia coli and Bacillis anthracis Malate Synthase A: Comparison with Isoform G and Implications for Structure Based Drug Design

Released:
DOI: 10.2210/pdb3cux/pdb
PDB entry 3cux coloured by chain, front view.
PDB entry 3cux coloured by chain, side view.
PDB entry 3cux coloured by chain, top view.
Source organism: Bacillus anthracis
Primary publication:
Atomic resolution structures of Escherichia coli and Bacillus anthracis malate synthase A: comparison with isoform G and implications for structure-based drug discovery.
Lohman JR, Olson AC, Remington SJ
Protein Sci 17 1935-45 (2008)
PMID: 18714089

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + H(2)O + glyoxylate = (S)-malate + CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-105752 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Malate synthase Chain: A
Molecule details ›
Chain: A
Length: 528 amino acids
Theoretical weight: 60.52 KDa
Source organism: Bacillus anthracis
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A6L8PPD0 (Residues: 2-529; Coverage: 100%)
Gene names: GBAA_1131, aceB
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: C2
Unit cell:
a: 97.865Å b: 52.036Å c: 89.107Å
α: 90° β: 98.9° γ: 90°
R-values:
R R work R free
0.202 0.201 0.235
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Major roles of isocitrate lyase and malate synthase in bacterial and fungal pathogenesis.
Dunn et al. (2009)
1 more

1 mention without citation

Atomic resolution structures of Escherichia coli and Bacillus anthracis malate synthase A: comparison with isoform G and implications for structure-based drug discovery.
Lohman et al. (2008)