› 5e58

X-ray diffraction
2.4Å resolution

Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole

Released:
DOI: 10.2210/pdb5e58/pdb
PDB entry 5e58 coloured by chain, front view.
PDB entry 5e58 coloured by chain, side view.
PDB entry 5e58 coloured by chain, top view.
Source organism: Neotoma lepida
Primary publication:
Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.
Shah MB, Liu J, Huo L, Zhang Q, Dearing MD, Wilderman PR, Szklarz GD, Stout CD, Halpert JR
Mol Pharmacol 89 435-45 (2016)
PMID: 26826176

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:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-516356 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Cytochrome P450 Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 493 amino acids
Theoretical weight: 56.1 KDa
Source organism: Neotoma lepida
Expression system: Escherichia coli
UniProt:
  • Canonical: J9JD66 (Residues: 1-491; Coverage: 100%)
Gene name: CYP2B
Sequence domains: Cytochrome P450
Structure domains: Cytochrome P450

Ligands and Environments


Cofactor: Ligand HEM 6 x HEM
Carbohydrate polymer : NEW Components: GLC, FRU
Carbohydrate polymer
3 bound ligands:
Ligand CPZ 12 x CPZ
Ligand CM5 2 x CM5
Ligand GOL 4 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P1
Unit cell:
a: 98.079Å b: 106.066Å c: 106.198Å
α: 64.61° β: 82.53° γ: 69.93°
R-values:
R R work R free
0.22 0.216 0.283
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Coumarins and P450s, Studies Reported to-Date.
Foroozesh et al. (2019)
9 other articles

1 mention without citation

Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.
Shah et al. (2016)