› 2wj2

X-ray diffraction
2.55Å resolution

3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with 7-phenyl-1-(5-(pyridin-2-yl)oxazol-2-yl)heptan- 1-one, an alpha-ketooxazole

Released:
DOI: 10.2210/pdb2wj2/pdb
PDB entry 2wj2 coloured by chain, front view.
PDB entry 2wj2 coloured by chain, side view.
PDB entry 2wj2 coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Binding and inactivation mechanism of a humanized fatty acid amide hydrolase by alpha-ketoheterocycle inhibitors revealed from cocrystal structures.
Mileni M, Garfunkle J, DeMartino JK, Cravatt BF, Boger DL, Stevens RC
J Am Chem Soc 131 10497-506 (2009)
PMID: 19722626

Function and Biology Details

Reaction catalysed: 
Anandamide + H(2)O = arachidonic acid + ethanolamine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161319 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fatty-acid amide hydrolase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 573 amino acids
Theoretical weight: 63.11 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P97612 (Residues: 30-579; Coverage: 95%)
Gene names: Faah, Faah1
Sequence domains: Amidase
Structure domains: Amidase signature (AS) domain

Ligands and Environments

2 bound ligands:
Ligand OL1 2 x OL1
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P3221
Unit cell:
a: 103.44Å b: 103.44Å c: 254.13Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.186 0.184 0.235
Expression system: Escherichia coli BL21

Quick links

Citations

9 review citations

Aromatic rings in chemical and biological recognition: energetics and structures.
Salonen et al. (2011)
8 more

4 mentions without citation

Highly Selective, Reversible Inhibitor Identified by Comparative Chemoproteomics Modulates Diacylglycerol Lipase Activity in Neurons.
Baggelaar et al. (2015)
3 more