6FR2

Soluble epoxide hydrolase in complex with LK864

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Bifunctional epoxide hydrolase 2	polymer	346	39648.5	1	UniProt (P34913) Pfam (PF00561) In PDB	Homo sapiens (Human)
2	A	1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea	non-polymer		493.5	1	Chemie (E3N)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4		water	water		18.0	107	Chemie (HOH)

Sequence modifications

A: 222 - 555 (UniProt: P34913)

PDB	External Database	Details
Met 219	-	initiating methionine
Ala 220	-	expression tag
Ser 221	-	expression tag
Leu 556	-	expression tag
Leu 557	-	expression tag
Glu 558	-	expression tag
His 559	-	expression tag
His 560	-	expression tag
His 561	-	expression tag
His 562	-	expression tag
His 563	-	expression tag
His 564	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	39648.5
Non-Polymers*	Number of molecules	2
	Total formula weight	517.8
All*	Total formula weight	40166.4

*Water molecules are not included.