› 3dgi

X-ray diffraction
1.95Å resolution

Crystal structure of F87A/T268A mutant of CYP BM3

Released:
DOI: 10.2210/pdb3dgi/pdb
PDB entry 3dgi coloured by chain, front view.
PDB entry 3dgi coloured by chain, side view.
PDB entry 3dgi coloured by chain, top view.
Source organism: Priestia megaterium
Entry authors: Le Trong I, Katayama JH, Totah RA, Stenkamp RE, Fox EP

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:
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: 461 amino acids
Theoretical weight: 52.89 KDa
Source organism: Priestia megaterium
Expression system: Escherichia coli
UniProt:
  • Canonical: P14779 (Residues: 2-456; Coverage: 43%)
Gene names: BG04_163, cyp102, cyp102A1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
1 bound ligand:
Ligand DMS 2 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P21
Unit cell:
a: 58.934Å b: 146.625Å c: 63.515Å
α: 90° β: 97.36° γ: 90°
R-values:
R R work R free
0.179 0.177 0.22
Expression system: Escherichia coli

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