9W41

Structure of adenosine A2AR with an agonist MRS3997

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(s) subunit alpha isoforms short	polymer	243	28146.8	1		Homo sapiens (human)
2	B (G)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	73	7891.0	1	UniProt (P59768)	Homo sapiens (human)	G gamma-I
3	C (D)	scFv16	polymer	289	30765.5	1		Mus musculus
4	D (B)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	366	39728.4	1	UniProt (P62873)	Homo sapiens (human)	Transducin beta chain 1
5	E (R)	Soluble cytochrome b562,Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a,LgBiT	polymer	607	67350.0	1	UniProt (P0ABE7) UniProt (P29274)	Escherichia coli	Cytochrome b-562
6	F, I (R)	OLEIC ACID	non-polymer		282.5	2	Chemie (OLA)
7	G, H, J (R)	CHOLESTEROL	non-polymer		386.7	3	Chemie (CLR) PubChem (5997)
8	K (R)	(2R,3R,4S,5R)-2-[6-azanyl-2-[2-(6-bromanyl-1H-indol-3-yl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol	non-polymer		505.3	1	Chemie (A1EUU)
9	L (R)	water	water		18.0	4	Chemie (HOH)

Sequence modifications

G: 1 - 67 (UniProt: P59768)

PDB	External Database	Details
Gly 68	-	expression tag
Ser 69	-	expression tag
Ala 70	-	expression tag
Gly 71	-	expression tag
Ser 72	-	expression tag
Ala 73	-	expression tag

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 - -6 (UniProt: P0ABE7)

PDB	External Database	Details
Trp -105	Met 29	engineered mutation
Ile -10	His 124	engineered mutation
Leu -6	Arg 128	engineered mutation
Glu -5	-	linker
Asn -4	-	linker
Leu -3	-	linker
Tyr -2	-	linker
Phe -1	-	linker
Gln 0	-	linker
Ser 1	-	linker

R: 2 - 338 (UniProt: P29274)
R: 339 - 495 (PDB: 9W41)

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	173881.8
Non-Polymers*	Number of molecules	6
	Total formula weight	2230.2
All*	Total formula weight	176112.0

*Water molecules are not included.