8Y71

positive allosteric modulator(BMS986187)-bound delta-opioid receptor-Gi complex

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	371	40227.0	1	UniProt (P54311) Pfam (PF00400)	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	68	7563.8	1	UniProt (P63212) Pfam (PF00631)	Bos taurus (domestic cattle)	G gamma-I
4	D (E)	scFv16	polymer	248	26408.5	1		synthetic construct
5	E (R)	Delta-type opioid receptor	polymer	523	57485.0	1	UniProt (P41143) Pfam (PF00001)	Homo sapiens (human)	D-OR-1,DOR-1
6	F (R)	3,3,6,6-tetramethyl-9-[4-[(2-methylphenyl)methoxy]phenyl]-4,5,7,9-tetrahydro-2~{H}-xanthene-1,8-dione	non-polymer		470.6	1	Chemie (A1D6B)
7	G (R)	4-[(~{S})-[(2~{R},5~{S})-2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-~{N},~{N}-diethyl-benzamide	non-polymer		449.6	1	Chemie (A1D6F)

Sequence modifications

A: 1 - 354 (UniProt: P63096)

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

B: 7 - 345 (UniProt: P54311)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 2	-	expression tag
Ser 3	-	expression tag
Leu 4	-	expression tag
Leu 5	-	expression tag
Gln 6	-	expression tag
Gly 346	-	expression tag
Ser 347	-	expression tag
Ser 348	-	expression tag
Gly 349	-	expression tag
Gly 350	-	expression tag
Gly 351	-	expression tag
Gly 352	-	expression tag
Ser 353	-	expression tag
Gly 354	-	expression tag
Gly 355	-	expression tag
Gly 356	-	expression tag
Gly 357	-	expression tag
Ser 358	-	expression tag
Ser 359	-	expression tag
Gly 360	-	expression tag
Val 361	-	expression tag
Ser 362	-	expression tag
Gly 363	-	expression tag
Trp 364	-	expression tag
Arg 365	-	expression tag
Leu 366	-	expression tag
Phe 367	-	expression tag
Lys 368	-	expression tag
Lys 369	-	expression tag
Ile 370	-	expression tag
Ser 371	-	expression tag

R: 2 - 366 (UniProt: P41143)
R: 367 - 524 (PDB: 8Y71)

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	172129.3
Non-Polymers*	Number of molecules	2
	Total formula weight	920.2
All*	Total formula weight	173049.5

*Water molecules are not included.