› 2oas

X-ray diffraction
2.4Å resolution

Crystal Structure of 4-hydroxybutyrate coenzyme A transferase (AtoA) in complex with CoA from Shewanella oneidensis, Northeast Structural Genomics Target SoR119.

Released:
DOI: 10.2210/pdb2oas/pdb
PDB entry 2oas coloured by chain, front view.
PDB entry 2oas coloured by chain, side view.
PDB entry 2oas coloured by chain, top view.
Source organism: Shewanella oneidensis MR-1
Entry authors: Forouhar F, Neely H, Hussain M, Benach J, Seetharaman J, Cunningham K, Ma LC, Owen L, Fang Y, Xiao R, Liu J, Baran MC, Acton TB, Montelione GT, Hunt JF, Tong L, Northeast Structural Genomics Consortium (NESG)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-184381 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetyl-CoA hydrolase/transferase Chains: A, B
Molecule details ›
Chains: A, B
Length: 436 amino acids
Theoretical weight: 47.22 KDa
Source organism: Shewanella oneidensis MR-1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8EG98 (Residues: 1-428; Coverage: 100%)
Gene name: SO_1708
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand COA 2 x COA
1 modified residue:
Ligand MSE 16 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: C2221
Unit cell:
a: 80.157Å b: 111.337Å c: 179.43Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.226 0.225 0.266
Expression system: Escherichia coli

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