› 2f0x

X-ray diffraction
2.3Å resolution

Crystal structure and function of human thioesterase superfamily member 2(THEM2)

Released:
DOI: 10.2210/pdb2f0x/pdb
PDB entry 2f0x coloured by chain, front view.
PDB entry 2f0x coloured by chain, side view.
PDB entry 2f0x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of human thioesterase superfamily member 2.
Cheng Z, Song F, Shan X, Wei Z, Wang Y, Dunaway-Mariano D, Gong W
Biochem Biophys Res Commun 349 172-7 (2006)
PMID: 16934754

Function and Biology Details

Reaction catalysed: 
Palmitoyl-CoA + H(2)O = CoA + palmitate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192489 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acyl-coenzyme A thioesterase 13 Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 148 amino acids
Theoretical weight: 16.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9NPJ3 (Residues: 1-140; Coverage: 100%)
Gene names: ACOT13, HT012, PNAS-27, THEM2
Sequence domains: Thioesterase superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments

1 bound ligand:
Ligand SO4 20 x SO4
1 modified residue:
Ligand MSE 56 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: BSRF BEAMLINE 3W1A
Spacegroup: C2
Unit cell:
a: 131.937Å b: 122.076Å c: 90.977Å
α: 90° β: 123.9° γ: 90°
R-values:
R R work R free
0.219 0.216 0.247
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

The type I fatty acid and polyketide synthases: a tale of two megasynthases.
Smith et al. (2007)
3 more

4 mentions without citation

Thioesterases: a new perspective based on their primary and tertiary structures.
Cantu et al. (2010)
3 more