6S0Q

Structure of the A2A adenosine receptor determined at SwissFEL using native-SAD at 4.57 keV from 50,000 diffraction patterns

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a	polymer	433	47996.7	1	UniProt (P29274) UniProt (P0ABE7) Pfam (PF00001) Pfam (PF07361)	Homo sapiens (Human)	Cytochrome b-562
2	B (A)	4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol	non-polymer		337.3	1	Chemie (ZMA)
3	C, D, E, F, G... (A)	OLEIC ACID	non-polymer		282.5	7	Chemie (OLA)
4	J, K (A)	(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	2	Chemie (OLB)
5	L, M (A)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	2	Chemie (OLC)
6	N, O, P (A)	CHOLESTEROL	non-polymer		386.7	3	Chemie (CLR)

Sequence modifications

A: 2 - 208 (UniProt: P29274)

PDB	External Database	Details
Asp -8	-	expression tag
Tyr -7	-	expression tag
Lys -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag
Pro 1	-	expression tag
Leu 54	Ala 54	engineered mutation
Ala 88	Thr 88	engineered mutation
Ala 107	Arg 107	engineered mutation
Ala 122	Lys 122	engineered mutation
Ala 154	Asn 154	engineered mutation
Ala 202	Leu 202	engineered mutation

A: 1001 - 1105 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 1007	Met 29	engineered mutation
Ile 1102	His 124	engineered mutation
Leu 1106	-	linker

A: 219 - 317 (UniProt: P29274)

PDB	External Database	Details
Ala 235	Leu 235	engineered mutation
Ala 239	Val 239	engineered mutation
Ala 277	Ser 277	engineered mutation
Ala 318	-	expression tag
His 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag
His 324	-	expression tag
His 325	-	expression tag
His 326	-	expression tag
His 327	-	expression tag
His 328	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	47996.7
Non-Polymers*	Number of molecules	15
	Total formula weight	4900.7
All*	Total formula weight	52897.4

*Water molecules are not included.