› 5dyz

X-ray diffraction
1.97Å resolution

Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 in complex with N-palmitoylglycine

Released:
DOI: 10.2210/pdb5dyz/pdb
PDB entry 5dyz coloured by chain, front view.
PDB entry 5dyz coloured by chain, side view.
PDB entry 5dyz coloured by chain, top view.
Source organism: Priestia megaterium
Primary publication:
Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen.
Di Nardo G, Dell'Angelo V, Catucci G, Sadeghi SJ, Gilardi G
Arch Biochem Biophys 602 106-115 (2016)
PMID: 26718083

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-537702 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional cytochrome P450/NADPH--P450 reductase Chains: A, C
Molecule details ›
Chains: A, C
Length: 470 amino acids
Theoretical weight: 53.59 KDa
Source organism: Priestia megaterium
Expression system: Escherichia coli
UniProt:
  • Canonical: P14779 (Residues: 2-471; Coverage: 45%)
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 140 1 x 140
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 61.213Å b: 115.708Å c: 143.278Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.179 0.219
Expression system: Escherichia coli

Quick links

Citations

1 review citation

A Promiscuous Bacterial P450: The Unparalleled Diversity of BM3 in Pharmaceutical Metabolism.
Thistlethwaite et al. (2021)
10 other articles