6gqi

X-ray diffraction
2Å resolution

Thermocrispum municipale cyclohexanone monooxygenase bound to hexanoic acid

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pyr_redox_2 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 541 amino acids
Theoretical weight: 60.2 KDa
Source organism: Thermocrispum municipale
Expression system: Escherichia coli BL21
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 NAP 2 x NAP

Cofactor: Ligand FAD 2 x FAD
2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P212121
Unit cell:
a: 65.069Å b: 93.69Å c: 159.639Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.142 0.139 0.199
Expression system: Escherichia coli BL21