8GNG

Crystal structure of human adenosine A2A receptor in complex with istradefylline.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, X)	Adenosine receptor A2a	polymer	333	37334.0	2	UniProt (P29274) Pfam (PF00001)	Homo sapiens (human)
2	B, E (L, Y)	antibody fab fragment light chain	polymer	214	23527.9	2		Mus musculus
3	C, F (H, Z)	antibody fab fragment heavy chain	polymer	226	24294.9	2		Mus musculus
4	G, Q (A, X)	8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione	non-polymer		384.4	2	Chemie (JQ9)
5	H, I, J, K, M... (A, X)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	10	Chemie (OLC)
6	L, U (A, X)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
7	O, V (L, Y)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
8	W (A)	water	water		18.0	3	Chemie (HOH)

Sequence modifications

A, X: 1 - 316 (UniProt: P29274)

PDB	External Database	Details
Asp -6	-	expression tag
Tyr -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Lys 0	-	expression tag
Leu 54	Ala 54	engineered mutation
Ala 88	Thr 88	engineered mutation
Ala 122	Lys 122	engineered mutation
Gln 154	Asn 154	engineered mutation
Ala 239	Val 239	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	6
	Total formula weight	170313.6
Non-Polymers*	Number of molecules	16
	Total formula weight	4483.4
All*	Total formula weight	174796.9

*Water molecules are not included.