› 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 2oas coloured by chain and viewed from the front.
PDB 2oas coloured by chain and viewed from the side.
PDB 2oas coloured by chain and viewed from the top.
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:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
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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