› 6a37

X-ray diffraction
2.2Å resolution

X-ray structure of cyclohexanone monooxygenase from Acinetobacter calcoaceticus

Released:
DOI: 10.2210/pdb6a37/pdb
PDB entry 6a37 coloured by chain, front view.
PDB entry 6a37 coloured by chain, side view.
PDB entry 6a37 coloured by chain, top view.
Source organism: Acinetobacter calcoaceticus
Primary publication:
Engineering of Cyclohexanone Monooxygenase for the Enantioselective Synthesis of (S)-Omeprazole
Zhang Y, Wu YQ, Xu N, Zhao Q, Yu HL, Xu JH
To be published

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-100857 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Putative flavin-binding monooxygenase Chain: A
Molecule details ›
Chain: A
Length: 552 amino acids
Theoretical weight: 62.3 KDa
Source organism: Acinetobacter calcoaceticus
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: A0A0A8XFY0 (Residues: 1-532; Coverage: 98%)
Gene name: P23_1101
Sequence domains: Flavin-binding monooxygenase-like
Structure domains: FAD/NAD(P)-binding domain

Ligands and Environments

1 bound ligand:
Ligand FAD 1 x FAD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P21
Unit cell:
a: 52.1Å b: 52.969Å c: 102.162Å
α: 90° β: 96.51° γ: 90°
R-values:
R R work R free
0.187 0.185 0.229
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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