› 4c4x

X-ray diffraction
2.17Å resolution

Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9

Released:
DOI: 10.2210/pdb4c4x/pdb
PDB entry 4c4x coloured by chain, front view.
PDB entry 4c4x coloured by chain, side view.
PDB entry 4c4x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.
Pilger J, Mazur A, Monecke P, Schreuder H, Elshorst B, Bartoschek S, Langer T, Schiffer A, Krimm I, Wegstroth M, Lee D, Hessler G, Wendt KU, Becker S, Griesinger C
Angew Chem Int Ed Engl 54 6511-5 (2015)
PMID: 25877959

Function and Biology Details

Reactions catalysed: 
(9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoate + H(2)O = (9S,10S)-9,10-dihydroxyoctadecanoate + phosphate
An epoxide + H(2)O = a glycol
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-152745 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bifunctional epoxide hydrolase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 326 amino acids
Theoretical weight: 37.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P34913 (Residues: 230-555; Coverage: 59%)
Gene name: EPHX2
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

1 bound ligand:
Ligand W9M 2 x W9M
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 47.69Å b: 79.87Å c: 88.61Å
α: 90° β: 89.95° γ: 90°
R-values:
R R work R free
0.213 0.211 0.242
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Current NMR Techniques for Structure-Based Drug Discovery.
Sugiki et al. (2018)
1 more

1 mention without citation

New Thermophilic α/β Class Epoxide Hydrolases Found in Metagenomes From Hot Environments.
Ferrandi et al. (2018)