› 2wap

X-ray diffraction
2.8Å resolution

3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with the drug-like urea inhibitor PF-3845

Released:
DOI: 10.2210/pdb2wap/pdb
PDB entry 2wap coloured by chain, front view.
PDB entry 2wap coloured by chain, side view.
PDB entry 2wap coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Discovery and characterization of a highly selective FAAH inhibitor that reduces inflammatory pain.
Ahn K, Johnson DS, Mileni M, Beidler D, Long JZ, McKinney MK, Weerapana E, Sadagopan N, Liimatta M, Smith SE, Lazerwith S, Stiff C, Kamtekar S, Bhattacharya K, Zhang Y, Swaney S, Van Becelaere K, Stevens RC, Cravatt BF
Chem Biol 16 411-20 (2009)
PMID: 19389627

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: 543 amino acids
Theoretical weight: 59.83 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P97612 (Residues: 31-573; Coverage: 94%)
Gene names: Faah, Faah1
Sequence domains: Amidase
Structure domains: Amidase signature (AS) domain

Ligands and Environments

3 bound ligands:
Ligand PIX 2 x PIX
Ligand CL 1 x CL
Ligand NA 3 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 12.3.1
Spacegroup: P212121
Unit cell:
a: 102.77Å b: 105.2Å c: 148.03Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.192 0.232
Expression system: Escherichia coli BL21

Quick links

Citations

71 review citations

The resurgence of covalent drugs.
Singh et al. (2011)
70 more

7 mentions without citation

Fatty acid-binding proteins (FABPs) are intracellular carriers for Δ9-tetrahydrocannabinol (THC) and cannabidiol (CBD).
Elmes et al. (2015)
6 more