4l6g

X-ray diffraction
1.37Å resolution

Crystal Structure of P450cin Y81F mutant, crystallized in 7 mM 1,8-cineole

Released:

Function and Biology Details

Reaction catalysed:
1,8-cineole + [reduced flavodoxin] + O(2) = 2-endo-hydroxy-1,8-cineole + [oxidized flavodoxin] + H(2)O
Biochemical function:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-186615 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
1,8-cineole 2-endo-monooxygenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 398 amino acids
Theoretical weight: 44.77 KDa
Source organism: Citrobacter braakii
Expression system: Escherichia coli DH5[alpha]
UniProt:
  • Canonical: Q8VQF6 (Residues: 8-404; Coverage: 98%)
Gene name: cinA
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P212121
Unit cell:
a: 68.81Å b: 103.77Å c: 127.71Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.167 0.207
Expression system: Escherichia coli DH5[alpha]