› 6bgf

X-ray diffraction
2.25Å resolution

Crystal structure of cysteine-bound ferrous form of the crosslinked human cysteine dioxygenase

Released:
DOI: 10.2210/pdb6bgf/pdb
PDB entry 6bgf coloured by chain, front view.
PDB entry 6bgf coloured by chain, side view.
PDB entry 6bgf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Li J, Griffith WP, Davis I, Shin I, Wang J, Li F, Wang Y, Wherritt DJ, Liu A
Nat Chem Biol 14 853-860 (2018)
PMID: 29942080

Function and Biology Details

Reaction catalysed: 
L-cysteine + O(2) = 3-sulfinoalanine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172611 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cysteine dioxygenase type 1 Chain: A
Molecule details ›
Chain: A
Length: 200 amino acids
Theoretical weight: 22.95 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q16878 (Residues: 2-200; Coverage: 100%)
Gene name: CDO1
Sequence domains: Cysteine dioxygenase type I
Structure domains: Jelly Rolls

Ligands and Environments

4 bound ligands:
Ligand CYS 1 x CYS
Ligand FE2 1 x FE2
Ligand SO4 3 x SO4
Ligand GOL 5 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P65
Unit cell:
a: 131.295Å b: 131.295Å c: 34.218Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.17 0.165 0.219
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Unleashing the Synthetic Power of Plant Oxygenases: From Mechanism to Application.
Mitchell et al. (2019)
2 more

3 mentions without citation

Carbon-fluorine bond cleavage mediated by metalloenzymes.
Wang et al. (2020)
2 more