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TitleFluoride-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.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 133, Page 4092-4100, Year 2011
Publish dateNov 24, 2010 (structure data deposition date)
AuthorsMileni, M. / Garfunkle, J. / Ezzili, C. / Cravatt, B.F. / Stevens, R.C. / Boger, D.L.
External linksJ. Am. Chem. Soc. / PubMed:21355555
MethodsX-ray diffraction
Resolution1.78 - 2.2 Å
Structure data

PDB-3ppm:
Crystal Structure of a Noncovalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-3pr0:
Crystal Structure of a Covalently Bound alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to a Humanized Variant of Fatty Acid Amide Hydrolase
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-JG1:
7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one

ChemComp-CL:
Unknown entry

ChemComp-F:
FLUORIDE ION

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-1DO:
1-DODECANOL

ChemComp-HOH:
WATER

ChemComp-JG2:
7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol

Source
  • rattus norvegicus (Norway rat)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / protein-inhibitor complex / FAAH / oxazole / oxadiazole / endocannabinoid degradation / membrane protein / HYDROLASE-HYDROLASE INHIBITOR complex / alpha-ketoheterocycle

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