5DHH

The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with SB-612111 (PSI Community Target)

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)	Soluble cytochrome b562,Nociceptin receptor	polymer	424	46696.4	2	UniProt (P0ABE7) UniProt (P41146) Pfam (PF07361) Pfam (PF00001)	Escherichia coli	Cytochrome b-562,Kappa-type 3 opioid receptor,KOR-3,Orphanin FQ receptor
2	C, D, E, F, G... (A, B)	OLEIC ACID	non-polymer		282.5	7	Chemie (OLA)
3	H, K (A, B)	(5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol	non-polymer		418.4	2	Chemie (DGW)
4	L (B)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	1	Chemie (OLC)

Sequence modifications

A, B: -63 - 42 (UniProt: P0ABE7)

PDB	External Database	Details
Asp -73	-	expression tag
Tyr -72	-	expression tag
Lys -71	-	expression tag
Asp -70	-	expression tag
Asp -69	-	expression tag
Asp -68	-	expression tag
Asp -67	-	expression tag
Gly -66	-	expression tag
Ala -65	-	expression tag
Pro -64	-	expression tag
Trp -57	Met 29	engineered mutation
Ile 38	His 124	engineered mutation
Leu 42	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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	93392.7
Non-Polymers*	Number of molecules	10
	Total formula weight	3170.6
All*	Total formula weight	96563.3

*Water molecules are not included.