› 5kll

X-ray diffraction
2.17Å resolution

Crystal structure of 2-hydroxymuconate-6-semialdehyde derived tautomeric intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169D

Released:
DOI: 10.2210/pdb5kll/pdb
PDB entry 5kll coloured by chain, front view.
PDB entry 5kll coloured by chain, side view.
PDB entry 5kll coloured by chain, top view.
Source organism: Pseudomonas fluorescens
Primary publication:
A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
Yang Y, Davis I, Ha U, Wang Y, Shin I, Liu A
J Biol Chem 291 26252-26261 (2016)
PMID: 27810899

Function and Biology Details

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-182965 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldehyde dehydrogenase domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 520 amino acids
Theoretical weight: 56.15 KDa
Source organism: Pseudomonas fluorescens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q83V33 (Residues: 1-500; Coverage: 100%)
Gene name: nbaE
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 6UN 4 x 6UN
Ligand NA 4 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 88.364Å b: 143.055Å c: 174.076Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.17 0.218
Expression system: Escherichia coli BL21(DE3)

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Citations

4 citation in other articles

Reassignment of the human aldehyde dehydrogenase ALDH8A1 (ALDH12) to the kynurenine pathway in tryptophan catabolism.
Davis et al. (2018)
3 more

1 mention without citation

A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
Yang et al. (2016)