› 6era

X-ray diffraction
2.49Å resolution

Crystal structure of cyclohexanone monooxygenase mutant (F249A, F280A and F435A) from Rhodococcus sp. Phi1 bound to NADP+

Released:
DOI: 10.2210/pdb6era/pdb
PDB entry 6era coloured by chain, front view.
PDB entry 6era coloured by chain, side view.
PDB entry 6era coloured by chain, top view.
Source organism: Rhodococcus sp. Phi1
Primary publication:
Biocatalytic Routes to Lactone Monomers for Polymer Production.
Messiha HL, Ahmed ST, Karuppiah V, Suardíaz R, Ascue Avalos GA, Fey N, Yeates S, Toogood HS, Mulholland AJ, Scrutton NS
Biochemistry 57 1997-2008 (2018)
PMID: 29533655

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-183040 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclohexanone monooxygenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 549 amino acids
Theoretical weight: 60.71 KDa
Source organism: Rhodococcus sp. Phi1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q84H73 (Residues: 1-541; Coverage: 100%)
Gene name: chnB
Sequence domains: Flavin-binding monooxygenase-like
Structure domains: FAD/NAD(P)-binding domain

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P21
Unit cell:
a: 53.86Å b: 64.94Å c: 187.59Å
α: 90° β: 97.03° γ: 90°
R-values:
R R work R free
0.216 0.214 0.262
Expression system: Escherichia coli

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Citations

3 review citations

Rhodococcus as A Versatile Biocatalyst in Organic Synthesis.
Busch et al. (2019)
2 more