› 3zqa

X-ray diffraction
2.45Å resolution

CRYSTALLOGRAPHIC STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE MUTANT C286A FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH NADPH

Released:
DOI: 10.2210/pdb3zqa/pdb
Model geometry
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PDB entry 3zqa coloured by chain, front view.
PDB entry 3zqa coloured by chain, side view.
PDB entry 3zqa coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Novel NADPH-cysteine covalent adduct found in the active site of an aldehyde dehydrogenase.
Díaz-Sánchez AG, González-Segura L, Rudiño-Piñera E, Lira-Rocha A, Torres-Larios A, Muñoz-Clares RA
Biochem J 439 443-52 (2011)
PMID: 21732915

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-190927 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD/NADP-dependent betaine aldehyde dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 490 amino acids
Theoretical weight: 53.36 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9HTJ1 (Residues: 1-490; Coverage: 100%)
Gene names: PA5373, betB
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments


Cofactor: Ligand NDP 4 x NDP
5 bound ligands:
Ligand GOL 23 x GOL
Ligand PG4 1 x PG4
Ligand EDO 2 x EDO
Ligand K 8 x K
Ligand TOE 1 x TOE
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: NSLS BEAMLINE X6A
Spacegroup: P3221
Unit cell:
a: 151.439Å b: 151.439Å c: 241.752Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.157 0.155 0.191
Expression system: Escherichia coli BL21(DE3)

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Citations

11 citation in other articles

Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Chen et al. (2014)
10 more

2 mentions without citation

Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Halavaty et al. (2015)
1 more

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