PDBe 2h4u

X-ray diffraction
2.2Å resolution

Crystal Structure of Human Thioesterase Superfamily Member 2 (CASP Target)

Released:
Source organism: Homo sapiens
Entry authors: Ogg DJ, Uppenberg J, Arrowsmith C, Berglund H, Edwards A, Ehn M, Grasslund S, Flodin S, Hammerstrom M, Hogbom M, Holmberg-Schiavone L, Kotenyova T, Nilsson-Ehle P, Nordlund P, Nyman T, Persson C, Sagemark J, Sundstrom M, Thorsell A-G, Weigelt J, Hallberg M, Structural Genomics Consortium (SGC)

Function and Biology Details

Reaction catalysed:
Acetyl-CoA + H(2)O = CoA + acetate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acyl-coenzyme A thioesterase 13, N-terminally processed Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 145 amino acids
Theoretical weight: 15.66 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9NPJ3 (Residues: 19-140; Coverage: 87%)
Gene names: ACOT13, HT012, PNAS-27, THEM2
Sequence domains: Thioesterase superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments

No bound ligands

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P212121
Unit cell:
a: 57.05Å b: 90.97Å c: 114.4Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.217 0.272
Expression system: Escherichia coli BL21(DE3)