5m10

X-ray diffraction
1.22Å resolution

Crystal structure of cyclohexanone monooxygenase from Thermocrispum municipale in the oxidised state with a bound nicotinamide.

Released:
Source organism: Thermocrispum municipale
Primary publication:
Characterization and Crystal Structure of a Robust Cyclohexanone Monooxygenase.
Angew Chem Int Ed Engl 55 15852-15855 (2016)
PMID: 27873437

Function and Biology Details

Reaction catalysed:
Cyclohexanone + NADPH + O(2) = hexano-6-lactone + NADP(+) + H(2)O
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-103539 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FAD/NAD(P)-binding domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 541 amino acids
Theoretical weight: 60.2 KDa
Source organism: Thermocrispum municipale
Expression system: Escherichia coli str. K-12 substr. DH10B
UniProt:
  • Canonical: A0A1L1QK40 (Residues: 1-541; Coverage: 100%)
Sequence domains: Pyridine nucleotide-disulphide oxidoreductase
Structure domains: FAD/NAD(P)-binding domain

Ligands and Environments


Cofactor: Ligand FAD 1 x FAD

Cofactor: Ligand NAP 1 x NAP
3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: C2221
Unit cell:
a: 68.84Å b: 113.63Å c: 155.48Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.132 0.131 0.165
Expression system: Escherichia coli str. K-12 substr. DH10B