› 8vqw

X-ray diffraction
2.2Å resolution

Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (CoA bound)

Released:
DOI: 10.2210/pdb8vqw/pdb
PDB entry 8vqw coloured by chain, front view.
PDB entry 8vqw coloured by chain, side view.
PDB entry 8vqw coloured by chain, top view.
Source organism: Klebsiella aerogenes KCTC 2190
Entry authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Function and Biology Details

Reaction catalysed: 
Betaine aldehyde + NAD(+) + H(2)O = betaine + NADH
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-241744 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Betaine aldehyde dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 499 amino acids
Theoretical weight: 54.06 KDa
Source organism: Klebsiella aerogenes KCTC 2190
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0H3FPU4 (Residues: 1-490; Coverage: 100%)
Gene names: EAE_13520, betB
Sequence domains: Aldehyde dehydrogenase family

Ligands and Environments

5 bound ligands:
Ligand PGE 1 x PGE
Ligand GOL 1 x GOL
Ligand PEG 1 x PEG
Ligand CL 1 x CL
Ligand COA 2 x COA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 83.818Å b: 101.008Å c: 123.928Å
α: 90° β: 95.94° γ: 90°
R-values:
R R work R free
0.162 0.16 0.203
Expression system: Escherichia coli BL21(DE3)

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