› 3e8p

X-ray diffraction
2.3Å resolution

Crystal structure of the protein Q8E9M7 from Shewanella oneidensis related to thioesterase superfamily. Northeast Structural Genomics Consortium target SoR246.

Released:
DOI: 10.2210/pdb3e8p/pdb
PDB entry 3e8p coloured by chain, front view.
PDB entry 3e8p coloured by chain, side view.
PDB entry 3e8p coloured by chain, top view.
Source organism: Shewanella oneidensis
Entry authors: Kuzin AP, Abashidze M, Seetharaman J, Janjua H, Ciccosanti C, Foote EL, Wang H, Xiao R, Nair R, Everett J, Acton TB, Rost B, Tong SN, Montelione GT, Hunt JF, Tong L, Northeast Structural Genomics Consortium (NESG)

Function and Biology Details

Reaction catalysed: 
Acyl-CoA + H(2)O = CoA + a carboxylate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184325 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Medium/long-chain acyl-CoA thioesterase YigI Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 164 amino acids
Theoretical weight: 18.45 KDa
Source organism: Shewanella oneidensis
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8E9M7 (Residues: 1-154; Coverage: 100%)
Gene names: SO_4242, yigI
Sequence domains: Thioesterase superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments

No bound ligands
1 modified residue:
Ligand MSE 24 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4C
Spacegroup: C2
Unit cell:
a: 88.751Å b: 89.085Å c: 81.919Å
α: 90° β: 105.1° γ: 90°
R-values:
R R work R free
0.207 0.207 0.242
Expression system: Escherichia coli

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