› 5t57

X-ray diffraction
1.65Å resolution

Crystal Structure of a Semialdehyde dehydrogenase NAD-binding Protein from Cupriavidus necator in Complex with Calcium and NAD

Released:
DOI: 10.2210/pdb5t57/pdb
PDB entry 5t57 coloured by chain, front view.
PDB entry 5t57 coloured by chain, side view.
PDB entry 5t57 coloured by chain, top view.
Source organism: Cupriavidus necator N-1
Entry authors: Cook WJ, Fedorov AA, Fedorov EV, Huang H, Bonanno JB, Gerlt JA, Almo SC

Function and Biology Details

Reaction catalysed: 
D-apionate + NAD(+) = 3-oxo-D-isoapionate + NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-123703 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-apionate oxidoisomerase Chain: A
Molecule details ›
Chain: A
Length: 296 amino acids
Theoretical weight: 32.49 KDa
Source organism: Cupriavidus necator N-1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: F8GV06 (Residues: 1-276; Coverage: 100%)
Gene names: CNE_BB1p11570, apnO
Sequence domains:
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

3 bound ligands:
Ligand NAD 1 x NAD
Ligand CA 1 x CA
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P21212
Unit cell:
a: 87.903Å b: 71.14Å c: 47.649Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.173 0.203
Expression system: Escherichia coli BL21(DE3)

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