8JWY

Crystal structure of A2AR-T4L in complex with 2-118

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Adenosine receptor A2a,Endolysin	polymer	481	54059.0	1	UniProt (P29274) UniProt (D9IEF7) Pfam (PF00001) Pfam (PF00959) In PDB	Homo sapiens (human)
2	A	3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile	non-polymer		452.5	1	Chemie (VBF)
3	A	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)
4	A	OLEIC ACID	non-polymer		282.5	18	Chemie (OLA)
5	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	A	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	1	Chemie (OLC)
7		water	water		18.0	207	Chemie (HOH)

Sequence modifications

A: 2 - 208 (UniProt: P29274)

PDB	External Database	Details
Asp -7	-	expression tag
Tyr -6	-	expression tag
Lys -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Gly 0	-	expression tag
Ala 1	-	expression tag

A: 209 - 368 (UniProt: D9IEF7)

PDB	External Database	Details
Thr 261	Cys 54	engineered mutation
Ala 304	Cys 97	engineered mutation

A: 369 - 463 (UniProt: P29274)

PDB	External Database	Details
His 464	-	expression tag
His 465	-	expression tag
His 466	-	expression tag
His 467	-	expression tag
His 468	-	expression tag
His 469	-	expression tag
His 470	-	expression tag
His 471	-	expression tag
His 472	-	expression tag
His 473	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	54059.0
Non-Polymers*	Number of molecules	22
	Total formula weight	6303.0
All*	Total formula weight	60361.9

*Water molecules are not included.