3QAK

Agonist bound structure of the human adenosine A2a receptor

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,lysozyme chimera	polymer	488	54739.8	1	UniProt (P29274) UniProt (P00720) Pfam (PF00001) Pfam (PF00959)	Homo Sapien	Endolysin, Lysis protein, Muramidase
2	B (A)	6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide	non-polymer		777.9	1	Chemie (UKA)
3	C, D (A)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	2	Chemie (OLC)
4	E (A)	water	water		18.0	6	Chemie (HOH)

Sequence modifications

A: 2 - 208 (UniProt: P29274)

PDB	External Database	Details
Asp -14	-	expression tag
Tyr -13	-	expression tag
Lys -12	-	expression tag
Asp -11	-	expression tag
Asp -10	-	expression tag
Asp -9	-	expression tag
Asp -8	-	expression tag
Ala -7	-	expression tag
Met -6	-	expression tag
Gly -5	-	expression tag
Gln -4	-	expression tag
Pro -3	-	expression tag
Val -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag
Pro 1	-	expression tag

A: 1002 - 1161 (UniProt: P00720)

PDB	External Database	Details
Thr 1054	Cys 54	engineered mutation
Ala 1097	Cys 97	engineered mutation

A: 222 - 316 (UniProt: P29274)

PDB	External Database	Details
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	1
	Total formula weight	54739.8
Non-Polymers*	Number of molecules	3
	Total formula weight	1491.0
All*	Total formula weight	56230.7

*Water molecules are not included.