4J5P

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

Summary for 4J5P

• Entry DOI: 10.2210/pdb4j5p/pdb
• Related: 2WJ1 2WJ2 3K7F 3K83 3K84 3PR0
• Descriptor: Fatty-acid amide hydrolase 1, (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol, DI(HYDROXYETHYL)ETHER, ... (5 entities in total)
• Functional Keywords: 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: 127648.08

Authors

Otrubova, 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. (deposition date: 2013-02-08, release date: 2013-05-01, Last modification date: 2023-09-20)

• Primary citation: Otrubova, 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.; Rational design of Fatty Acid amide hydrolase inhibitors that act by covalently bonding to two active site residues.; J.Am.Chem.Soc., 135:6289-6299, 2013; PubMed: 23581831; DOI: 10.1021/ja4014997

Experimental method

X-RAY DIFFRACTION (2.3 Å)