› 6eqo

X-ray diffraction
2.7Å resolution

Tri-functional propionyl-CoA synthase of Erythrobacter sp. NAP1 with bound NADP+ and phosphomethylphosphonic acid adenylate ester

Released:
DOI: 10.2210/pdb6eqo/pdb
PDB entry 6eqo coloured by chain, front view.
PDB entry 6eqo coloured by chain, side view.
PDB entry 6eqo coloured by chain, top view.
Source organism: Erythrobacter sp. NAP1
Primary publication:
The multicatalytic compartment of propionyl-CoA synthase sequesters a toxic metabolite.
Bernhardsgrütter I, Vögeli B, Wagner T, Peter DM, Cortina NS, Kahnt J, Bange G, Engilberge S, Girard E, Riobé F, Maury O, Shima S, Zarzycki J, Erb TJ
Nat Chem Biol 14 1127-1132 (2018)
PMID: 30374166

Function and Biology Details

Reactions catalysed: 
(S)-3-hydroxyacyl-CoA + NAD(+) = 3-oxoacyl-CoA + NADH
ATP + acetate + CoA = AMP + diphosphate + acetyl-CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107250 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
acetate--CoA ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 1850 amino acids
Theoretical weight: 200.63 KDa
Source organism: Erythrobacter sp. NAP1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A3WE14 (Residues: 1-1850; Coverage: 100%)
Gene name: NAP1_02725
Sequence domains:

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
1 bound ligand:
Ligand ACP 2 x ACP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: C2
Unit cell:
a: 383.414Å b: 86.74Å c: 133.958Å
α: 90° β: 108.89° γ: 90°
R-values:
R R work R free
0.191 0.191 0.229
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Comprehensive classification of ABC ATPases and their functional radiation in nucleoprotein dynamics and biological conflict systems.
Krishnan et al. (2020)
1 more

3 mentions without citation

Metabolic channeling: predictions, deductions, and evidence.
Pareek et al. (2021)
2 more