› 4lrs

X-ray diffraction
1.55Å resolution

Crystal and solution structures of the bifunctional enzyme (Aldolase/Aldehyde dehydrogenase) from Thermomonospora curvata, reveal a cofactor-binding domain motion during NAD+ and CoA accommodation whithin the shared cofactor-binding site

Released:
DOI: 10.2210/pdb4lrs/pdb
PDB entry 4lrs coloured by chain, front view.
PDB entry 4lrs coloured by chain, side view.
PDB entry 4lrs coloured by chain, top view.
Source organisms:
Entry authors: Fischer B, Branlant G, Talfournier F, Gruez A

Function and Biology Details

Reactions catalysed: 
(S)-4-hydroxy-2-oxopentanoate = acetaldehyde + pyruvate
(S)-4-hydroxy-2-oxohexanoate = propanal + pyruvate
Acetaldehyde + CoA + NAD(+) = acetyl-CoA + NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
hetero tetramer (preferred)
monomeric
Assembly name:
PDBe Complex ID:
PDB-CPX-112228 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
4-hydroxy-2-oxovalerate aldolase Chain: A
Molecule details ›
Chain: A
Length: 355 amino acids
Theoretical weight: 37.33 KDa
Source organism: Thermomonospora curvata DSM 43183
Expression system: Escherichia coli
UniProt:
  • Canonical: D1A3K8 (Residues: 1-355; Coverage: 100%)
Gene name: Tcur_0536
Sequence domains:
Structure domains:
Acetaldehyde dehydrogenase Chain: B
Molecule details ›
Chain: B
Length: 323 amino acids
Theoretical weight: 34.13 KDa
Source organism: Thermomonospora curvata DSM 43183
Expression system: Escherichia coli
UniProt:
  • Canonical: D1A3K7 (Residues: 1-303; Coverage: 100%)
Gene name: Tcur_0535
Sequence domains:
Structure domains:
Symmetric aldolase, C-terminal disordered residues Chain: N
Molecule details ›
Chain: N
Length: 3 amino acids
Theoretical weight: 231 Da
Source organism: Thermomonospora curvata
Expression system: Escherichia coli

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD
7 bound ligands:
Ligand SO4 1 x SO4
Ligand PYR 1 x PYR
Ligand CL 2 x CL
Ligand MG 1 x MG
Ligand GOL 6 x GOL
Ligand PEG 7 x PEG
Ligand FOR 1 x FOR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: C2
Unit cell:
a: 149.88Å b: 92.21Å c: 56.48Å
α: 90° β: 100.59° γ: 90°
R-values:
R R work R free
0.166 0.164 0.2
Expression system: Escherichia coli

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