4EA3

Structure of the N/OFQ Opioid Receptor in Complex with a Peptide Mimetic

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Fusion protein of Nociceptin receptor and cytochrome b562	polymer	434	48077.8	2	UniProt (P0ABE7) UniProt (P41146) Pfam (PF07361) Pfam (PF00001) In PDB	Escherichia coli	OP4, KOR-3, ORL1, NOCICEPTIN/ORPHANIN FQ RECEPTOR, Cytochrome b-562
2	A, B	1-benzyl-N-[3-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)propyl]-D-prolinamide	non-polymer		433.6	2	Chemie (0NN)
3	A	(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	1	Chemie (OLB)
4	A	OLEIC ACID	non-polymer		282.5	1	Chemie (OLA)
5	B	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	1	Chemie (OLC)
6		water	water		18.0	8	Chemie (HOH)

Sequence modifications

A, B: 1001 - 1106 (UniProt: P0ABE7)

PDB	External Database	Details
Asp 991	-	expression tag
Tyr 992	-	expression tag
Lys 993	-	expression tag
Asp 994	-	expression tag
Asp 995	-	expression tag
Asp 996	-	expression tag
Asp 997	-	expression tag
Gly 998	-	expression tag
Ala 999	-	expression tag
Pro 1000	-	expression tag
Trp 1007	Met 29	engineered mutation
Ile 1102	His 124	engineered mutation
Leu 1106	Arg 128	engineered mutation

A, B: 43 - 339 (UniProt: P41146)

PDB	External Database	Details
Gly 340	-	expression tag
Arg 341	-	expression tag
Pro 342	-	expression tag
Leu 343	-	expression tag
Glu 344	-	expression tag
Val 345	-	expression tag
Leu 346	-	expression tag
Phe 347	-	expression tag
Gln 348	-	expression tag
Gly 349	-	expression tag
Pro 350	-	expression tag
His 351	-	expression tag
His 352	-	expression tag
His 353	-	expression tag
His 354	-	expression tag
His 355	-	expression tag
His 356	-	expression tag
His 357	-	expression tag
His 358	-	expression tag
His 359	-	expression tag
His 360	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	96155.6
Non-Polymers*	Number of molecules	5
	Total formula weight	1862.7
All*	Total formula weight	98018.4

*Water molecules are not included.