› 1j1y

X-ray diffraction
1.7Å resolution

Crystal Structure of PaaI from Thermus thermophilus HB8

Released:
DOI: 10.2210/pdb1j1y/pdb
PDB entry 1j1y coloured by chain, front view.
PDB entry 1j1y coloured by chain, side view.
PDB entry 1j1y coloured by chain, top view.
Source organism: Thermus thermophilus HB8
Primary publication:
A novel induced-fit reaction mechanism of asymmetric hot dog thioesterase PAAI.
Kunishima N, Asada Y, Sugahara M, Ishijima J, Nodake Y, Sugahara M, Miyano M, Kuramitsu S, Yokoyama S, Sugahara M
J Mol Biol 352 212-28 (2005)
PMID: 16061252

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-178030 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioesterase domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 136 amino acids
Theoretical weight: 14.28 KDa
Source organism: Thermus thermophilus HB8
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5SJP3 (Residues: 1-136; Coverage: 100%)
Gene name: TTHA0965
Sequence domains: Thioesterase superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments

2 bound ligands:
Ligand CL 1 x CL
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL45PX
Spacegroup: P4322
Unit cell:
a: 57.877Å b: 57.877Å c: 139.607Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.181 0.193
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Functional and structural properties of mammalian acyl-coenzyme A thioesterases.
Kirkby et al. (2010)
1 more

9 mentions without citation

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