8K9L

Full agonist- and positive allosteric modulator-bound mu-type opioid receptor-G protein complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	R	Soluble cytochrome b562,Mu-type opioid receptor,Mu-type opioid receptor	polymer	453	51321.9	1	UniProt (P35372) Pfam (PF07361) Pfam (PF00001) UniProt (by SIFTS) (P0ABE7) In PDB	Escherichia coli	M-OR-1,MOR-1,Mu opiate receptor,Mu opioid receptor,MOP,hMOP
2	S	DAMGO	polymer	5	513.6	1	BIRD (PRD_002308)	synthetic construct
3	A	G protein subunit alpha i3	polymer	354	40585.1	1	UniProt (F6VL43) Pfam (PF00503) UniProt (by SIFTS) (P08754) In PDB	Macaca mulatta (Rhesus monkey)	Guanine nucleotide-binding protein G(K) subunit alpha
4	B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	348	38522.1	1	UniProt (P62873) Pfam (PF00400) In PDB	Homo sapiens (human)	G protein subunit beta 1
5	G	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	72	7932.2	1	UniProt (P59768) Pfam (PF00631) In PDB	Homo sapiens (human)	G gamma-I
6	H	scFv16	polymer	257	27409.6	1		synthetic construct
7	R	(2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine	non-polymer		448.8	1	Chemie (VV9)

Sequence modifications

R: -74 - 53 (PDB: 8K9L)

PDB	External Database	Details
Gly 54	-	linker
Gly 55	-	linker
Ser 56	-	linker
Pro 57	-	linker
Gly 58	-	linker
Ala 59	-	linker
Arg 60	-	linker
Ser 61	-	linker
Ala 62	-	linker
Ser 63	-	linker

R: 64 - 362 (UniProt: P35372)

PDB	External Database	Details
Trp 158	Phe 158	conflict
Leu 363	-	expression tag
Glu 364	-	expression tag
Val 365	-	expression tag
Leu 366	-	expression tag
Phe 367	-	expression tag
Gln 368	-	expression tag
Gly 369	-	expression tag
Pro 370	-	expression tag
His 371	-	expression tag
His 372	-	expression tag
His 373	-	expression tag
His 374	-	expression tag
His 375	-	expression tag
His 376	-	expression tag
His 377	-	expression tag
His 378	-	expression tag

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -7	-	initiating methionine
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag

G: 2 - 71 (UniProt: P59768)

PDB	External Database	Details
Met 0	-	initiating methionine
Ala 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	166284.5
Non-Polymers*	Number of molecules	1
	Total formula weight	448.8
All*	Total formula weight	166733.3

*Water molecules are not included.