› 5yss

X-ray diffraction
2.28Å resolution

Crystal structure of aminocaproic acid cyclase in complex with NAD (+)

Released:
DOI: 10.2210/pdb5yss/pdb
PDB entry 5yss coloured by chain, front view.
PDB entry 5yss coloured by chain, side view.
PDB entry 5yss coloured by chain, top view.
Source organism: Citrobacter freundii
Primary publication:
A synthetic microbial biosensor for high-throughput screening of lactam biocatalysts.
Yeom SJ, Kim M, Kwon KK, Fu Y, Rha E, Park SH, Lee H, Kim H, Lee DH, Kim DM, Lee SG
Nat Commun 9 5053 (2018)
PMID: 30498220

Function and Biology Details

Reaction catalysed: 
(R)-3-hydroxybutanoate + NAD(+) = acetoacetate + NADH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-101156 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
D-beta-hydroxybutyrate dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 256 amino acids
Theoretical weight: 27 KDa
Source organism: Citrobacter freundii
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0D7LY80 (Residues: 1-256; Coverage: 100%)
Gene names: AI2602V1_2506, AI2935V1_2583, HCO49_12835, HXS83_13140, JDY53_05865, KV121_000458, KY227_001853, TO64_00155
Sequence domains: short chain dehydrogenase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 7A (6B, 6C1)
Spacegroup: P21
Unit cell:
a: 62.47Å b: 148.259Å c: 62.382Å
α: 90° β: 101.47° γ: 90°
R-values:
R R work R free
0.2 0.196 0.271
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Synthetic Biology Enables Programmable Cell-Based Biosensors.
Hicks et al. (2020)
9 more