8HDO

Structure of A2BR bound to synthetic agonists BAY 60-6583

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Chimeric miniGs	polymer	246	29048.9	1	UniProt (P63092) Pfam (PF00503) In PDB	Homo sapiens (human)	Adenylate cyclase-stimulating G alpha protein
2	B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	345	37915.5	1	UniProt (P62873) Pfam (PF00400) In PDB	Homo sapiens (human)
3	G	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768) Pfam (PF00631) In PDB	Homo sapiens (human)	G gamma-I
4	N	Nanobody 35	polymer	128	13885.4	1		Camelus bactrianus
5	R	Adenosine A2b receptor	polymer	332	36359.9	1	UniProt (P29275) Pfam (PF00001) In PDB	Homo sapiens (human)
6	R	CHOLESTEROL	non-polymer		386.7	7	Chemie (CLR)
7	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: 1 - 66 (UniProt: P63092)

PDB	External Database	Details
Met 25	Lys 25	conflict
Asp 49	Gly 49	conflict
Asn 50	Glu 50	conflict
Tyr 63	Leu 63	conflict

A: 67 - 115 (UniProt: P63092)

PDB	External Database	Details
Ala 88	Gly 226	conflict
Asp 111	Ala 249	conflict
Asp 114	Ser 252	conflict

A: 116 - 246 (UniProt: P63092)

PDB	External Database	Details
Asp 124	Leu 272	conflict
Ser 218	Ala 366	conflict
Ala 224	Ile 372	conflict
Ile 227	Val 375	conflict

B: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Leu -1	-	expression tag
Leu 0	-	expression tag
Gln 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	125070.9
Non-Polymers*	Number of molecules	8
	Total formula weight	3086.0
All*	Total formula weight	128156.9

*Water molecules are not included.