› 3r1b

X-ray diffraction
3Å resolution

Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene

Released:
DOI: 10.2210/pdb3r1b/pdb
PDB entry 3r1b coloured by chain, front view.
PDB entry 3r1b coloured by chain, side view.
PDB entry 3r1b coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Primary publication:
Structural analysis of mammalian cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene: insight into partial enzymatic activity.
Gay SC, Zhang H, Wilderman PR, Roberts AG, Liu T, Li S, Lin HL, Zhang Q, Woods VL, Stout CD, Hollenberg PF, Halpert JR
Biochemistry 50 4903-11 (2011)
PMID: 21510666

Function and Biology Details

Reaction catalysed: 
RH + [reduced NADPH--hemoprotein reductase] + O(2) = ROH + [oxidized NADPH--hemoprotein reductase] + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-132309 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Cytochrome P450 2B4 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 476 amino acids
Theoretical weight: 54.17 KDa
Source organism: Oryctolagus cuniculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00178 (Residues: 20-491; Coverage: 96%)
Gene name: CYP2B4
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
Carbohydrate polymer : NEW Components: GLC, FRU
Carbohydrate polymer
2 bound ligands:
Ligand TB2 4 x TB2
Ligand CM5 5 x CM5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: C2
Unit cell:
a: 193.924Å b: 153.691Å c: 129.665Å
α: 90° β: 122.22° γ: 90°
R-values:
R R work R free
0.244 0.242 0.288
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Structural diversity of eukaryotic membrane cytochrome p450s.
Johnson et al. (2013)
5 more

4 mentions without citation

Structural analysis of mammalian cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene: insight into partial enzymatic activity.
Gay et al. (2011)
3 more