5NLX

A2A Adenosine receptor room-temperature structure determined by serial millisecond crystallography

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, C, D (A)	OLEIC ACID	non-polymer		282.5	3	Chemie (OLA)
3	E (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	F (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)
5	G, H, I (A)	CHOLESTEROL	non-polymer		386.7	3	Chemie (CLR)
6	J (A)	water	water		18.0	33	Chemie (HOH)

Sequence modifications

A: 11 - 217 (UniProt: P29274)

PDB	External Database	Details
Asp 1	-	expression tag
Tyr 2	-	expression tag
Lys 3	-	expression tag
Asp 4	-	expression tag
Asp 5	-	expression tag
Asp 6	-	expression tag
Asp 7	-	expression tag
Gly 8	-	expression tag
Ala 9	-	expression tag
Pro 10	-	expression tag
Leu 63	Ala 54	engineered mutation
Ala 97	Thr 88	engineered mutation
Ala 116	Arg 107	engineered mutation
Ala 131	Lys 122	engineered mutation
Ala 163	Asn 154	engineered mutation
Ala 211	Leu 202	engineered mutation

A: 218 - 322 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 224	Met 29	conflict
Ile 319	His 124	conflict
Leu 323	-	linker

A: 324 - 422 (UniProt: P29274)

PDB	External Database	Details
Ala 340	Leu 235	engineered mutation
Ala 344	Val 239	engineered mutation
Ala 382	Ser 277	engineered mutation
Ala 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag
His 428	-	expression tag
His 429	-	expression tag
His 430	-	expression tag
His 431	-	expression tag
His 432	-	expression tag
His 433	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	47996.7
Non-Polymers*	Number of molecules	8
	Total formula weight	2367.7
All*	Total formula weight	50364.4

*Water molecules are not included.