4DJH

Structure of the human kappa opioid receptor in complex with JDTic

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)	Kappa-type opioid receptor, Lysozyme	polymer	480	54290.5	2	UniProt (P41145) UniProt (P00720) Pfam (PF00001) Pfam (PF00959)	Homo Sapiens (human Bacteriophage T4)	K-OR-1, KOR-1
2	C, E (A, B)	(3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide	non-polymer		465.6	2	Chemie (JDC)
3	D (A)	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)
4	F, G (B)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	2	Chemie (OLC)
5	H, I (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
6	J, K (A, B)	water	water		18.0	25	Chemie (HOH)

Sequence modifications

A, B: 43 - 261 (UniProt: P41145)

PDB	External Database	Details
Gly 38	-	expression tag
Gly 39	-	expression tag
Thr 40	-	expression tag
Thr 41	-	expression tag
Met 42	-	expression tag
Leu 135	Ile 135	engineered mutation

A, B: 1002 - 1161 (UniProt: P00720)

PDB	External Database	Details
Thr 1054	Cys 54	engineered mutation
Ala 1097	Cys 97	engineered mutation

A, B: 263 - 358 (UniProt: P41145)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	108581.0
Non-Polymers*	Number of molecules	7
	Total formula weight	2048.7
All*	Total formula weight	110629.7

*Water molecules are not included.