› 5jqu

X-ray diffraction
2.16Å resolution

Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) variant with iron(III) deuteroporphyrin IX bound

Released:
DOI: 10.2210/pdb5jqu/pdb
PDB entry 5jqu coloured by chain, front view.
PDB entry 5jqu coloured by chain, side view.
PDB entry 5jqu coloured by chain, top view.
Source organism: Priestia megaterium NBRC 15308 = ATCC 14581
Primary publication:
An Evolved Orthogonal Enzyme/Cofactor Pair.
Reynolds EW, McHenry MW, Cannac F, Gober JG, Snow CD, Brustad EM
J Am Chem Soc 138 12451-8 (2016)
PMID: 27575374

Function and Biology Details

Reactions catalysed: 
RH + [reduced NADPH--hemoprotein reductase] + O(2) = ROH + [oxidized NADPH--hemoprotein reductase] + H(2)O
NADPH + n oxidized hemoprotein = NADP(+) + n reduced hemoprotein
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147084 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional cytochrome P450/NADPH--P450 reductase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 471 amino acids
Theoretical weight: 54.1 KDa
Source organism: Priestia megaterium NBRC 15308 = ATCC 14581
Expression system: Escherichia coli
UniProt:
  • Canonical: P14779 (Residues: 2-464; Coverage: 44%)
Gene names: BG04_163, cyp102, cyp102A1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand FDE 8 x FDE
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 106.057Å b: 166.299Å c: 229.331Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.259 0.258 0.334
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Exploiting and engineering hemoproteins for abiological carbene and nitrene transfer reactions.
Brandenberg et al. (2017)
2 more