› 8u9j

X-ray diffraction
2.02Å resolution

The crystal structure of iron-bound human ADO C18S C239S variant at 2.02 Angstrom

Released:
DOI: 10.2210/pdb8u9j/pdb
PDB entry 8u9j coloured by chain, front view.
PDB entry 8u9j coloured by chain, side view.
PDB entry 8u9j coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Cobalt(II)-Substituted Cysteamine Dioxygenase Oxygenation Proceeds through a Cobalt(III)-Superoxo Complex.
Li J, Duan R, Liu A
J Am Chem Soc 146 18292-18297 (2024)
PMID: 38941563

Function and Biology Details

Reaction catalysed: 
2-aminoethanethiol + O(2) = hypotaurine
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188759 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-aminoethanethiol dioxygenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 274 amino acids
Theoretical weight: 30.11 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q96SZ5 (Residues: 2-270; Coverage: 100%)
Gene names: ADO, C10orf22
Sequence domains: PCO_ADO

Ligands and Environments

3 bound ligands:
Ligand FE 2 x FE
Ligand GOL 4 x GOL
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: C2
Unit cell:
a: 117.941Å b: 55.198Å c: 97.322Å
α: 90° β: 114.1° γ: 90°
R-values:
R R work R free
0.211 0.208 0.259
Expression system: Escherichia coli

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