› 6zw9

X-ray diffraction
1.76Å resolution

[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz) soaked with 4-thiouracil (S-SAD data)

Released:
DOI: 10.2210/pdb6zw9/pdb
PDB entry 6zw9 coloured by chain, front view.
PDB entry 6zw9 coloured by chain, side view.
PDB entry 6zw9 coloured by chain, top view.
Source organism: uncultured bacterium
Primary publication:
Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.
Zhou J, Pecqueur L, Aučynaitė A, Fuchs J, Rutkienė R, Vaitekūnas J, Meškys R, Boll M, Fontecave M, Urbonavičius J, Golinelli-Pimpaneau B
Angew Chem Int Ed Engl 60 424-431 (2021)
PMID: 32929873

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-104240 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
DUF523 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 166 amino acids
Theoretical weight: 17.58 KDa
Source organism: uncultured bacterium
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A2H4Z949 (Residues: 1-158; Coverage: 100%)
Sequence domains: 2-thiouracil desulfurase

Ligands and Environments

4 bound ligands:
Ligand SF4 2 x SF4
Ligand EDO 2 x EDO
Ligand H2S 2 x H2S
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: C2
Unit cell:
a: 136.165Å b: 85.519Å c: 39.576Å
α: 90° β: 94.01° γ: 90°
R-values:
R R work R free
0.169 0.168 0.188
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Biosynthesis and Degradation of Sulfur Modifications in tRNAs.
Shigi N. (2021)
1 more