3VG9

Crystal structure of human adenosine A2A receptor with an allosteric inverse-agonist antibody at 2.7 A resolution

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	polymer	326	36540.3	1	UniProt (P29274) Pfam (PF00001)	Homo sapiens (human)
2	B (B)	antibody fab fragment light chain	polymer	214	23527.9	1		Mus musculus (mouse)
3	C (C)	antibody fab fragment heavy chain	polymer	226	24294.9	1		Mus musculus (mouse)
4	D (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	E, F, G, H, I... (A)	STEARIC ACID	non-polymer		284.5	6	Chemie (STE)
6	K (A)	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	1	Chemie (LMT)
7	L, M, N (A, B, C)	water	water		18.0	70	Chemie (HOH)

Sequence modifications

A: 1 - 316 (UniProt: P29274)

PDB	External Database	Details
Gln 154	Asn 154	engineered mutation
His 317	-	expression tag
His 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

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	84363.1
Non-Polymers*	Number of molecules	8
	Total formula weight	2554.8
All*	Total formula weight	86917.9

*Water molecules are not included.