› 3cgd

X-ray diffraction
2.25Å resolution

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

Released:
DOI: 10.2210/pdb3cgd/pdb
PDB entry 3cgd coloured by chain, front view.
PDB entry 3cgd coloured by chain, side view.
PDB entry 3cgd 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: 53.58 KDa
Source organism: Bacillus anthracis str. Ames
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A6L7HMK7 (Residues: 1-444; Coverage: 100%)
Gene name: GBAA_1263
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand COA 2 x COA
Ligand FAD 2 x FAD
Ligand NAD 2 x NAD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: C2
Unit cell:
a: 169.612Å b: 81.171Å c: 98.052Å
α: 90° β: 104.01° γ: 90°
R-values:
R R work R free
0.208 0.206 0.248
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

4 mentions without citation

An Ancient Fingerprint Indicates the Common Ancestry of Rossmann-Fold Enzymes Utilizing Different Ribose-Based Cofactors.
Laurino et al. (2016)
3 more