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› 4zf8

X-ray diffraction
2.77Å resolution

Cytochrome P450 pentamutant from BM3 with bound Metyrapone

Released:
DOI: 10.2210/pdb4zf8/pdb
Model geometry
Fit model/data
PDB entry 4zf8 coloured by chain, front view.
PDB entry 4zf8 coloured by chain, side view.
PDB entry 4zf8 coloured by chain, top view.
Source organism: Priestia megaterium
Primary publication:
Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Geronimo I, Denning CA, Rogers WE, Othman T, Huxford T, Heidary DK, Glazer EC, Payne CM
Biochemistry 55 3594-606 (2016)
PMID: 27267136

Function and Biology Details

Reactions catalysed: 
an organic molecule + reduced [NADPH--hemoprotein reductase] + O2 =an alcohol + oxidized [NADPH--hemoprotein reductase] + H2O + H(+).
2 oxidized [cytochrome P450] + NADPH = 2 reduced [cytochrome P450] +NADP(+) + H(+).
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 Chain: A
Molecule details ›
Chain: A
Length: 468 amino acids
Theoretical weight: 53.5 KDa
Source organism: Priestia megaterium
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P14779 (Residues: 1-461; Coverage: 44%)
Gene names: BG04_163, cyp102, cyp102A1
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
2 bound ligands:
Ligand MYT 1 x MYT
Ligand NI 4 x NI
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P6522
Unit cell:
a: 55.899Å b: 55.899Å c: 711.033Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.218 0.215 0.263
Expression system: Escherichia coli BL21

Quick links

Citations

2 review citations

P450 Monooxygenases Enable Rapid Late-Stage Diversification of Natural Products via C-H Bond Activation.
Fessner ND. (2019)
1 more

3 mentions without citation

Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Geronimo et al. (2016)
2 more