› 2nuj

X-ray diffraction
2Å resolution

Crystal structure of thioesterase superfamily (YP_509914.1) from Jannaschia Sp. CCS1 at 2.00 A resolution

Released:
DOI: 10.2210/pdb2nuj/pdb
PDB entry 2nuj coloured by chain, front view.
PDB entry 2nuj coloured by chain, side view.
PDB entry 2nuj coloured by chain, top view.
Source organism: Jannaschia
Entry author: Joint Center for Structural Genomics (JCSG)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-173333 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioesterase superfamily Chains: A, B
Molecule details ›
Chains: A, B
Length: 163 amino acids
Theoretical weight: 18.22 KDa
Source organism: Jannaschia
Expression system: Escherichia coli
UniProt:
  • Canonical: Q28QX3 (Residues: 1-162; Coverage: 100%)
Gene name: Jann_1972
Sequence domains: Thioesterase-like superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments

1 bound ligand:
Ligand MPD 5 x MPD
1 modified residue:
Ligand MSE 8 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P4122
Unit cell:
a: 78.401Å b: 78.401Å c: 151.418Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.157 0.155 0.187
Expression system: Escherichia coli

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