› 3wec

X-ray diffraction
2.19Å resolution

Structure of P450 RauA (CYP1050A1) complexed with a biosynthetic intermediate of aurachin RE

Released:
DOI: 10.2210/pdb3wec/pdb
PDB entry 3wec coloured by chain, front view.
PDB entry 3wec coloured by chain, side view.
PDB entry 3wec coloured by chain, top view.
Source organism: Rhodococcus erythropolis
Primary publication:
Structure of the quinoline N-hydroxylating cytochrome P450 RauA, an essential enzyme that confers antibiotic activity on aurachin alkaloids.
Yasutake Y, Kitagawa W, Hata M, Nishioka T, Ozaki T, Nishiyama M, Kuzuyama T, Tamura T
FEBS Lett 588 105-10 (2014)
PMID: 24269679

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-579468 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytochrome P450 Chain: A
Molecule details ›
Chain: A
Length: 419 amino acids
Theoretical weight: 45.92 KDa
Source organism: Rhodococcus erythropolis
Expression system: Escherichia coli
UniProt:
  • Canonical: S6BVH1 (Residues: 1-411; Coverage: 100%)
Gene name: rauA
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand HEM 1 x HEM
Ligand AUI 1 x AUI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: P21
Unit cell:
a: 41.46Å b: 100.04Å c: 52.29Å
α: 90° β: 108.72° γ: 90°
R-values:
R R work R free
0.216 0.214 0.263
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Unrivalled diversity: the many roles and reactions of bacterial cytochromes P450 in secondary metabolism.
Greule et al. (2018)
1 more

1 mention without citation

Recent Structural Insights into Cytochrome P450 Function.
Guengerich et al. (2016)