› 3qk5

X-ray diffraction
2.2Å resolution

Crystal structure of fatty acid amide hydrolase with small molecule inhibitor

Released:
DOI: 10.2210/pdb3qk5/pdb
PDB entry 3qk5 coloured by chain, front view.
PDB entry 3qk5 coloured by chain, side view.
PDB entry 3qk5 coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors.
Gustin DJ, Ma Z, Min X, Li Y, Hedberg C, Guimaraes C, Porter AC, Lindstrom M, Lester-Zeiner D, Xu G, Carlson TJ, Xiao S, Meleza C, Connors R, Wang Z, Kayser F
Bioorg Med Chem Lett 21 2492-6 (2011)
PMID: 21392988

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: 587 amino acids
Theoretical weight: 64.59 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P97612 (Residues: 32-579; Coverage: 95%)
Gene names: Faah, Faah1
Sequence domains: Amidase
Structure domains: Amidase signature (AS) domain

Ligands and Environments

3 bound ligands:
Ligand QK5 2 x QK5
Ligand EDO 15 x EDO
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P212121
Unit cell:
a: 91.431Å b: 104.701Å c: 148.596Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.224
Expression system: Escherichia coli BL21

Quick links

Citations

2 review citations

The discovery and development of inhibitors of fatty acid amide hydrolase (FAAH).
Otrubova et al. (2011)
1 more

9 mentions without citation

Optimization of 1,2,5-thiadiazole carbamates as potent and selective ABHD6 inhibitors.
Patel et al. (2015)
8 more