9L60

Gi-bound kappa opioid receptor in complex with dynorphin and positive allosteric modulator MPAM-15

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 (A)	Guanine nucleotide-binding protein G(i) subunit alpha-1	polymer	354	40445.1	1	UniProt (P63096) Pfam (PF00503)	Homo sapiens (human)	Adenylate cyclase-inhibiting G alpha protein
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	353	39020.7	1	UniProt (P54311) Pfam (PF25391)	Rattus norvegicus (Norway rat)	Transducin beta chain 1
3	C (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P63212) Pfam (PF00631)	Bos taurus (domestic cattle)	G gamma-I
4	D (D)	Kappa-type opioid receptor	polymer	397	44780.1	1	UniProt (P41145) Pfam (PF00001)	Homo sapiens (human)	K-OR-1,KOR-1
5	E (P)	Dynorphin A(1-13)	polymer	13	1609.0	1	UniProt (P01213)	Homo sapiens
6	F, G (D)	CHOLESTEROL	non-polymer		386.7	2	Chemie (CLR)
7	H (D)	9-[5-(3-chlorophenyl)furan-2-yl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2~{H}-xanthene-1,8-dione	non-polymer		451.0	1	Chemie (A1D6C)

Sequence modifications

A: 1 - 354 (UniProt: P63096)

PDB	External Database	Details
Ala 203	Gly 203	engineered mutation
Ser 326	Ala 326	engineered mutation

B: 70 - 408 (UniProt: P54311)

PDB	External Database	Details
Met 56	-	initiating methionine
His 57	-	expression tag
His 58	-	expression tag
His 59	-	expression tag
His 60	-	expression tag
His 61	-	expression tag
His 62	-	expression tag
His 63	-	expression tag
His 64	-	expression tag
Gly 65	-	expression tag
Ser 66	-	expression tag
Leu 67	-	expression tag
Leu 68	-	expression tag
Gln 69	-	expression tag

D: 3 - 380 (UniProt: P41145)

PDB	External Database	Details
Asp -8	-	expression tag
Tyr -7	-	expression tag
Lys -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Val -1	-	expression tag
Asp 0	-	expression tag
Ala 1	-	expression tag
Ser 2	-	expression tag
His 381	-	expression tag
His 382	-	expression tag
His 383	-	expression tag
His 384	-	expression tag
His 385	-	expression tag
His 386	-	expression tag
His 387	-	expression tag
His 388	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	133715.9
Non-Polymers*	Number of molecules	3
	Total formula weight	1224.3
All*	Total formula weight	134940.2

*Water molecules are not included.