› 3cv2

X-ray diffraction
1.4Å 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/pdb3cv2/pdb
PDB entry 3cv2 coloured by chain, front view.
PDB entry 3cv2 coloured by chain, side view.
PDB entry 3cv2 coloured by chain, top view.
Source organism: Escherichia coli
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-140454 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Malate synthase A Chains: A, B
Molecule details ›
Chains: A, B
Length: 532 amino acids
Theoretical weight: 60.23 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P08997 (Residues: 2-533; Coverage: 100%)
Gene names: JW3974, aceB, b4014, mas
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand COA 2 x COA
2 bound ligands:
Ligand OXL 2 x OXL
Ligand MG 3 x MG
1 modified residue:
Ligand CSO 2 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P21
Unit cell:
a: 75.202Å b: 71.475Å c: 103.261Å
α: 90° β: 90.06° γ: 90°
R-values:
R R work R free
0.171 0.17 0.2
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

3 mentions 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)
2 more