› 6y9c

X-ray diffraction
1.8Å resolution

The structure of a quaternary ammonium Rieske monooxygenase reveals insights into carnitine oxidation by gut microbiota and inter-subunit electron transfer

Released:
DOI: 10.2210/pdb6y9c/pdb
PDB entry 6y9c coloured by chain, front view.
PDB entry 6y9c coloured by chain, side view.
PDB entry 6y9c coloured by chain, top view.
Source organism: Acinetobacter baumannii
Primary publication:
Characterisation of an unusual cysteine pair in the Rieske carnitine monooxygenase CntA catalytic site.
Quareshy M, Shanmugam M, Cameron AD, Bugg TDH, Chen Y
FEBS J (2023)
PMID: 36617384

Function and Biology Details

Reaction catalysed: 
L-carnitine + NAD(P)H + O(2) = (3R)-3-hydroxy-4-oxobutanoate + trimethylamine + NAD(P)(+) + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-111928 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carnitine monooxygenase oxygenase subunit Chain: A
Molecule details ›
Chain: A
Length: 391 amino acids
Theoretical weight: 44.75 KDa
Source organism: Acinetobacter baumannii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: D0C9N6 (Residues: 1-371; Coverage: 100%)
Gene names: F911_03119, HMPREF0010_01349, cntA
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand FE 1 x FE
Ligand 152 1 x 152
Ligand SCN 1 x SCN
Ligand FES 1 x FES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P63
Unit cell:
a: 91.242Å b: 91.242Å c: 87.366Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.248 0.246 0.292
Expression system: Escherichia coli BL21(DE3)

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