› 1t82

X-ray diffraction
1.7Å resolution

Crystal Structure of the putative thioesterase from Shewanella oneidensis, Northeast Structural Genomics Target SoR51

Released:
DOI: 10.2210/pdb1t82/pdb
PDB entry 1t82 coloured by chain, front view.
PDB entry 1t82 coloured by chain, side view.
PDB entry 1t82 coloured by chain, top view.
Source organism: Shewanella oneidensis MR-1
Entry authors: Forouhar F, Lee I, Vorobiev SM, Xiao R, Acton TB, Montelione GT, Hunt JF, Tong L, Northeast Structural Genomics Consortium (NESG)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184322 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thioesterase putative domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 155 amino acids
Theoretical weight: 17.85 KDa
Source organism: Shewanella oneidensis MR-1
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q8E989 (Residues: 1-145; Coverage: 100%)
Gene names: SO_4397, yiiD
Sequence domains: Putative thioesterase (yiiD_Cterm)
Structure domains: Hotdog Thioesterase

Ligands and Environments

No bound ligands
1 modified residue:
Ligand MSE 28 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P21
Unit cell:
a: 54.98Å b: 49.669Å c: 99.67Å
α: 90° β: 91.09° γ: 90°
R-values:
R R work R free
0.194 0.194 0.222
Expression system: Escherichia coli BL21

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