7XY6

Adenosine receptor bound to an agonist in complex with G protein obtained by cryo-EM

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(s) subunit alpha isoforms short	polymer	243	28146.8	1	UniProt (P63092) Pfam (PF00503)	Homo sapiens (human)	Adenylate cyclase-stimulating G alpha protein
2	B (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	366	39728.4	1	UniProt (P62873) Pfam (PF25391)	Homo sapiens (human)	Transducin beta chain 1
3	C (G)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	73	7891.0	1	Pfam (PF00631) UniProt (by SIFTS) (P59768)	Homo sapiens (human)
4	D (R)	Soluble cytochrome b562,Adenosine receptor A2b,LgBiT	polymer	628	69594.1	1	UniProt (P0ABE7) UniProt (P29275) Pfam (PF00001)	Escherichia coli	Cytochrome b-562
5	E (R)	2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide	non-polymer		379.4	1	Chemie (I5D)

Sequence modifications

A: 19 - 186 (UniProt: P63092)

PDB	External Database	Details
Thr 4	-	expression tag
Val 5	-	expression tag
Ser 6	-	expression tag
Ala 7	-	expression tag
Glu 8	-	expression tag
Asp 9	-	expression tag
Lys 10	-	expression tag
Ala 11	-	expression tag
Ala 12	-	expression tag
Ala 13	-	expression tag
Glu 14	-	expression tag
Arg 15	-	expression tag
Ser 16	-	expression tag
Lys 17	-	expression tag
Met 18	-	expression tag
Asp 42	Gly 49	engineered mutation
Asn 43	Glu 50	engineered mutation

A: 197 - 377 (UniProt: P63092)

PDB	External Database	Details
Tyr 187	-	linker
His 188	-	linker
Gly 189	-	linker
Gly 190	-	linker
Ser 191	-	linker
Gly 192	-	linker
Gly 193	-	linker
Ser 194	-	linker
Gly 195	-	linker
Gly 196	-	linker
Asp 242	Ala 249	engineered mutation
Asp 245	Ser 252	engineered mutation
-	Asn 254	deletion
-	Met 255	deletion
-	Val 256	deletion
-	Ile 257	deletion
-	Arg 258	deletion
-	Glu 259	deletion
-	Asp 260	deletion
-	Asn 261	deletion
-	Gln 262	deletion
-	Thr 263	deletion
Asp 255	Leu 272	engineered mutation
Ala 355	Ile 372	engineered mutation
Ile 358	Val 375	engineered mutation

B: 1 - 340 (UniProt: P62873)

PDB	External Database	Details
Gly 341	-	expression tag
Ser 342	-	expression tag
Ser 343	-	expression tag
Gly 344	-	expression tag
Gly 345	-	expression tag
Gly 346	-	expression tag
Gly 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
Ser 354	-	expression tag
Gly 355	-	expression tag
Val 356	-	expression tag
Ser 357	-	expression tag
Gly 358	-	expression tag
Trp 359	-	expression tag
Arg 360	-	expression tag
Leu 361	-	expression tag
Phe 362	-	expression tag
Lys 363	-	expression tag
Lys 364	-	expression tag
Ile 365	-	expression tag
Ser 366	-	expression tag

R: -111 - -7 (UniProt: P0ABE7)

PDB	External Database	Details
Asp -132	-	expression tag
Tyr -131	-	expression tag
Lys -130	-	expression tag
Asp -129	-	expression tag
Asp -128	-	expression tag
Asp -127	-	expression tag
Asp -126	-	expression tag
Ala -125	-	expression tag
Gly -124	-	expression tag
Arg -123	-	expression tag
Ala -122	-	expression tag
His -121	-	expression tag
His -120	-	expression tag
His -119	-	expression tag
His -118	-	expression tag
His -117	-	expression tag
His -116	-	expression tag
His -115	-	expression tag
His -114	-	expression tag
His -113	-	expression tag
His -112	-	expression tag
Trp -105	Met 29	engineered mutation
Ile -10	His 124	engineered mutation
Leu -6	-	linker
Glu -5	-	linker
Asn -4	-	linker
Leu -3	-	linker
Tyr -2	-	linker
Phe -1	-	linker
Gln 0	-	linker
Ser 1	-	linker

R: 2 - 332 (UniProt: P29275)
R: 333 - 495 (PDB: 7XY6)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	145360.3
Non-Polymers*	Number of molecules	1
	Total formula weight	379.4
All*	Total formula weight	145739.8

*Water molecules are not included.