3PR0

Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase

Summary for 3PR0

Entry DOI	10.2210/pdb3pr0/pdb
Related	2wj1 2wj2 3K7F 3K83 3K84 3ppm
Descriptor	Fatty Acid Amide Hydrolase 1, 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol, CHLORIDE ION, ... (5 entities in total)
Functional Keywords	protein-inhibitor complex, faah, oxadiazole, alpha-ketoheterocycle, endocannabinoid degradation, membrane protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Rattus norvegicus (rat)
Cellular location	Endoplasmic reticulum membrane; Single-pass membrane protein: P97612
Total number of polymer chains	2
Total formula weight	127177.85
Authors	Mileni, M.,Han, G.W.,Boger, D.L.,Stevens, R.C. (deposition date: 2010-11-29, release date: 2011-11-16, Last modification date: 2023-09-06)
Primary citation	Mileni, M.,Garfunkle, J.,Ezzili, C.,Cravatt, B.F.,Stevens, R.C.,Boger, D.L. Fluoride-mediated capture of a noncovalent bound state of a reversible covalent enzyme inhibitor: X-ray crystallographic analysis of an exceptionally potent alpha-ketoheterocycle inhibitor of fatty acid amide hydrolase. J.Am.Chem.Soc., 133:4092-4100, 2011 Cited by PubMed: 21355555 DOI: 10.1021/ja110877y PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation