› 3npl

X-ray diffraction
2.4Å resolution

Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant

Released:
DOI: 10.2210/pdb3npl/pdb
PDB entry 3npl coloured by chain, front view.
PDB entry 3npl coloured by chain, side view.
PDB entry 3npl coloured by chain, top view.
Source organism: Priestia megaterium
Entry authors: Ener M, Lee Y-T, Goodin DB, Winkler JR, Gray HB, Cheruzel L

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: 470 amino acids
Theoretical weight: 53.75 KDa
Source organism: Priestia megaterium
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P14779 (Residues: 1-464; 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 SO4 1 x SO4
Ligand RU8 1 x RU8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P41212
Unit cell:
a: 117.078Å b: 117.078Å c: 273.85Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.201 0.238
Expression system: Escherichia coli BL21(DE3)

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