› 3rwl

X-ray diffraction
2Å resolution

Structure of P450pyr hydroxylase

Released:
DOI: 10.2210/pdb3rwl/pdb
PDB entry 3rwl coloured by chain, front view.
PDB entry 3rwl coloured by chain, side view.
PDB entry 3rwl coloured by chain, top view.
Source organism: Sphingopyxis macrogoltabida
Primary publication:
Evolving P450pyr hydroxylase for highly enantioselective hydroxylation at non-activated carbon atom.
Pham SQ, Pompidor G, Liu J, Li XD, Li Z
Chem Commun (Camb) 48 4618-20 (2012)
PMID: 22430002

Function and Biology Details

Reaction catalysed: 
Octane + 2 reduced rubredoxin + O(2) + 2 H(+) = 1-octanol + 2 oxidized rubredoxin + 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-177034 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 alkane hydroxylase 1 CYP153A7 Chain: A
Molecule details ›
Chain: A
Length: 426 amino acids
Theoretical weight: 48.26 KDa
Source organism: Sphingopyxis macrogoltabida
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q5F4D9 (Residues: 2-416; Coverage: 100%)
Gene name: ahpG1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P31
Unit cell:
a: 112.604Å b: 112.604Å c: 41.964Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.162 0.16 0.196
Expression system: Escherichia coli BL21

Quick links

Citations

4 review citations

Improving and repurposing biocatalysts via directed evolution.
Denard et al. (2015)
3 more

4 mentions without citation

A Toolbox for Diverse Oxyfunctionalisation of Monoterpenes.
Hernandez-Ortega et al. (2018)
3 more