› 1t2b

X-ray diffraction
1.7Å resolution

Crystal Structure of cytochrome P450cin complexed with its substrate 1,8-cineole

Released:
DOI: 10.2210/pdb1t2b/pdb
PDB entry 1t2b coloured by chain, front view.
PDB entry 1t2b coloured by chain, side view.
PDB entry 1t2b coloured by chain, top view.
Source organism: Citrobacter braakii
Primary publication:
Crystal structure of P450cin in a complex with its substrate, 1,8-cineole, a close structural homologue to D-camphor, the substrate for P450cam.
Meharenna YT, Li H, Hawkes DB, Pearson AG, De Voss J, Poulos TL
Biochemistry 43 9487-94 (2004)
PMID: 15260491

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
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: 397 amino acids
Theoretical weight: 44.66 KDa
Source organism: Citrobacter braakii
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8VQF6 (Residues: 8-404; Coverage: 98%)
Gene name: cinA
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand HEM 2 x HEM
Ligand CNL 2 x CNL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P21
Unit cell:
a: 62.4Å b: 68.96Å c: 105.55Å
α: 90° β: 95.61° γ: 90°
R-values:
R R work R free
0.532 0.229 0.263
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Heme enzyme structure and function.
Poulos TL. (2014)
5 more

7 mentions without citation

Prediction and analysis of the modular structure of cytochrome P450 monooxygenases.
Sirim et al. (2010)
6 more