5WF5

Agonist bound human A2a adenosine receptor with D52N mutation at 2.60 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)	Human A2a adenosine receptor T4L chimera	polymer	504	56555.1	1	UniProt (P29274) UniProt (P00720) Pfam (PF00001) Pfam (PF00959)	Homo sapiens (Human)	Lysis protein,Lysozyme,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	3	Chemie (HOH)

Sequence modifications

A: 2 - 208 (UniProt: P29274)

PDB	External Database	Details
Met -30	-	initiating methionine
Lys -29	-	expression tag
Thr -28	-	expression tag
Ile -27	-	expression tag
Ile -26	-	expression tag
Ala -25	-	expression tag
Leu -24	-	expression tag
Ser -23	-	expression tag
Tyr -22	-	expression tag
Ile -21	-	expression tag
Phe -20	-	expression tag
Cys -19	-	expression tag
Leu -18	-	expression tag
Val -17	-	expression tag
Phe -16	-	expression tag
Ala -15	-	expression tag
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
Asn 52	Asp 52	engineered mutation

A: 1002 - 1161 (UniProt: P00720)

PDB	External Database	Details
Gly 1012	Arg 12	engineered mutation
Thr 1054	Cys 54	engineered mutation
Ala 1097	Cys 97	engineered mutation
Arg 1137	Ile 137	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	56555.1
Non-Polymers*	Number of molecules	3
	Total formula weight	1491.0
All*	Total formula weight	58046.0

*Water molecules are not included.