8S75

Soluble epoxide hydrolase in complex with PROTAC FL412

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	367	41951.1	2	UniProt (P34913) Pfam (PF00561)	Homo sapiens (human)
2	C (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
3	D, E, F, G, H... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
4	I, L (A, B)	~{N}-[2-[2-[2-[2-[2-[2-[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]cyclohexyl]oxy-benzamide	non-polymer		970.9	2	Chemie (A1H5L)
5	M, N (A, B)	water	water		18.0	477	Chemie (HOH)

Sequence modifications

A, B: 222 - 555 (UniProt: P34913)

PDB	External Database	Details
Met 198	-	initiating methionine
Gly 199	-	expression tag
Ser 200	-	expression tag
Ser 201	-	expression tag
His 202	-	expression tag
His 203	-	expression tag
His 204	-	expression tag
His 205	-	expression tag
His 206	-	expression tag
His 207	-	expression tag
Ser 208	-	expression tag
Ser 209	-	expression tag
Gly 210	-	expression tag
Leu 211	-	expression tag
Val 212	-	expression tag
Pro 213	-	expression tag
Arg 214	-	expression tag
Gly 215	-	expression tag
Ser 216	-	expression tag
His 217	-	expression tag
Met 218	-	expression tag
Ala 219	-	expression tag
Ser 220	-	expression tag
Met 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	2
	Total formula weight	83902.2
Non-Polymers*	Number of molecules	10
	Total formula weight	2570.6
All*	Total formula weight	86472.8

*Water molecules are not included.