9F1A

Crystal structure of human soluble epoxide hydrolase C-terminal domain in complex with a benzohomoadamantane-based urea inhibitor

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Bifunctional epoxide hydrolase 2	polymer	344	39545.3	2	UniProt (P34913) Pfam (PF00561)	Homo sapiens (human)
2	C, D (A, B)	1-(2,3-dimethoxy-9-methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)-3-(1-(tetrahydro-2H-pyran-4-carbonyl)piperidin-4-yl)urea	non-polymer		525.7	2	Chemie (A1H8Y)

Sequence modifications

A, B: 230 - 555 (UniProt: P34913)

PDB	External Database	Details
Met 212	-	initiating methionine
His 213	-	expression tag
His 214	-	expression tag
His 215	-	expression tag
His 216	-	expression tag
His 217	-	expression tag
His 218	-	expression tag
Ser 219	-	expression tag
Thr 220	-	expression tag
Glu 221	-	expression tag
Asn 222	-	expression tag
Leu 223	-	expression tag
Tyr 224	-	expression tag
Phe 225	-	expression tag
Gln 226	-	expression tag
Gly 227	-	expression tag
Ser 228	-	expression tag
Ser 229	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79090.5
Non-Polymers*	Number of molecules	2
	Total formula weight	1051.4
All*	Total formula weight	80141.9

*Water molecules are not included.