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Structure paper

TitleRational design of Fatty Acid amide hydrolase inhibitors that act by covalently bonding to two active site residues.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 135, Page 6289-6299, Year 2013
Publish dateFeb 8, 2013 (structure data deposition date)
AuthorsOtrubova, K. / Brown, M. / McCormick, M.S. / Han, G.W. / O'Neal, S.T. / Cravatt, B.F. / Stevens, R.C. / Lichtman, A.H. / Boger, D.L.
External linksJ. Am. Chem. Soc. / PubMed:23581831
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-4j5p:
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: 2.3 Å

Chemicals

ChemComp-BR1:
(1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • rattus norvegicus (Norway rat)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex

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