› 8qze

X-ray diffraction
1.87Å resolution

Heme-domain BM3 variant 21B3_F87V-A328F

Released:
DOI: 10.2210/pdb8qze/pdb
PDB entry 8qze coloured by chain, front view.
PDB entry 8qze coloured by chain, side view.
PDB entry 8qze coloured by chain, top view.
Source organism: Priestia megaterium
Primary publication:
Revisiting strategies and their combinatorial effect for introducing peroxygenase activity in CYP102A1 (P450BM3)
Aschenbrenner JC, Ebrecht AC, Smit MS, Opperman DJ
Mol Catal 557 113953- (2024)

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147079 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional cytochrome P450/NADPH--P450 reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 466 amino acids
Theoretical weight: 53.27 KDa
Source organism: Priestia megaterium
Expression system: Escherichia
UniProt:
  • Canonical: P14779 (Residues: 1-464; Coverage: 44%)
Gene names: BG04_163, cyp102, cyp102A1
Sequence domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
2 bound ligands:
Ligand IMD 2 x IMD
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21212
Unit cell:
a: 125.82Å b: 127.2Å c: 64.44Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.17 0.204
Expression system: Escherichia

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