› 5jq2

X-ray diffraction
2Å resolution

Crystal structure of the Ru(bpy)2PhenA functionalized P450 BM3 L407C heme domain mutant in complex with N-palmitoylglycine

Released:
DOI: 10.2210/pdb5jq2/pdb
PDB entry 5jq2 coloured by chain, front view.
PDB entry 5jq2 coloured by chain, side view.
PDB entry 5jq2 coloured by chain, top view.
Source organism: Priestia megaterium NBRC 15308 = ATCC 14581
Primary publication:
Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies.
Spradlin J, Lee D, Mahadevan S, Mahomed M, Tang L, Lam Q, Colbert A, Shafaat OS, Goodin D, Kloos M, Kato M, Cheruzel LE
Biochim Biophys Acta 1864 1732-1738 (2016)
PMID: 27639964

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 dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147081 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional cytochrome P450/NADPH--P450 reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 469 amino acids
Theoretical weight: 53.69 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 HEM 2 x HEM
2 bound ligands:
Ligand 140 2 x 140
Ligand RU8 2 x RU8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 59.88Å b: 112.54Å c: 156.36Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.174 0.218
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Keeping the spotlight on cytochrome P450.
Shalan et al. (2018)
2 more

1 mention without citation

Insights into an efficient light-driven hybrid P450 BM3 enzyme from crystallographic, spectroscopic and biochemical studies.
Spradlin et al. (2016)