› 3cgb

X-ray diffraction
1.9Å resolution

Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity

Released:
DOI: 10.2210/pdb3cgb/pdb
PDB entry 3cgb coloured by chain, front view.
PDB entry 3cgb coloured by chain, side view.
PDB entry 3cgb coloured by chain, top view.
Source organism: Bacillus anthracis str. Ames
Primary publication:
Pyridine nucleotide complexes with Bacillus anthracis coenzyme A-disulfide reductase: a structural analysis of dual NAD(P)H specificity.
Wallen JR, Paige C, Mallett TC, Karplus PA, Claiborne A
Biochemistry 47 5182-93 (2008)
PMID: 18399646

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-105707 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pyridine nucleotide-disulfide oxidoreductase, class I Chains: A, B
Molecule details ›
Chains: A, B
Length: 480 amino acids
Theoretical weight: 54.38 KDa
Source organism: Bacillus anthracis str. Ames
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A6L7HMK7 (Residues: 2-444; Coverage: 100%)
Gene name: GBAA_1263
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand COA 2 x COA
Ligand FAD 2 x FAD
1 modified residue:
Ligand MSE 34 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X26C
Spacegroup: C2
Unit cell:
a: 170.258Å b: 80.763Å c: 98.37Å
α: 90° β: 103.98° γ: 90°
R-values:
R R work R free
0.201 0.199 0.23
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Low-molecular-weight thiols in thiol-disulfide exchange.
Van Laer et al. (2013)
2 more

3 mentions without citation

Pyridine nucleotide complexes with Bacillus anthracis coenzyme A-disulfide reductase: a structural analysis of dual NAD(P)H specificity.
Wallen et al. (2008)
2 more