3PDC

Crystal structure of hydrolase domain of human soluble epoxide hydrolase complexed with a benzoxazole inhibitor

Summary for 3PDC

Entry DOI	10.2210/pdb3pdc/pdb
Related	1S8O 1VJ5 1ZD2 3i28 3iIy
Descriptor	Epoxide hydrolase 2, N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide (3 entities in total)
Functional Keywords	epoxide hydrolase, hydrolase, hypertension, beta barrel, alpha/beta hydrolase fold; epoxide hydrolase fold, acts on epoxides (alkene oxides, oxiranes) and arene oxides. plays a role in xenobiotic metabolism by degrading potentially toxic epoxides. also determines steady-state levels of physiological mediators. has low phosphatase activity, binds mg2+, acetylation of lysine, cytoplasm; peroxisome, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P34913
Total number of polymer chains	2
Total formula weight	79181.50
Authors	Kurumbail, R.G.,Williams, J.M. (deposition date: 2010-10-22, release date: 2011-04-06, Last modification date: 2023-09-06)
Primary citation	Xing, L.,McDonald, J.J.,Kolodziej, S.A.,Kurumbail, R.G.,Williams, J.M.,Warren, C.J.,O'Neal, J.M.,Skepner, J.E.,Roberds, S.L. Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening. J.Med.Chem., 54:1211-1222, 2011 Cited by PubMed: 21302953 DOI: 10.1021/jm101382t PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.6 Å)

Structure validation