9P1T

A2AR-BRIL in complex with ZM241385

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,Soluble cytochrome b562	polymer	430	47803.7	1	UniProt (P29274) UniProt (P0ABE7)	Homo sapiens (human)	Cytochrome b-562
2	B (A)	Lauryl Maltose Neopentyl Glycol	non-polymer		1005.2	1	Chemie (LMN)
3	C (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)

Sequence modifications

A: 1 - 210 (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
Lys 0	-	expression tag
Leu 54	Ala 54	engineered mutation
Ala 88	Thr 88	engineered mutation
Ala 107	Arg 107	engineered mutation
Ala 122	Lys 122	engineered mutation
Ala 154	Asn 154	engineered mutation
Ala 202	Leu 202	engineered mutation

A: 211 - 316 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 217	Met 29	engineered mutation
Ile 312	His 124	engineered mutation
Leu 316	Arg 128	engineered mutation

A: 317 - 413 (UniProt: P29274)

PDB	External Database	Details
Ala 331	Leu 235	engineered mutation
Ala 335	Val 239	engineered mutation
Ala 373	Ser 277	engineered mutation
His 414	-	expression tag
His 415	-	expression tag
His 416	-	expression tag
His 417	-	expression tag
His 418	-	expression tag
His 419	-	expression tag
His 420	-	expression tag
His 421	-	expression tag
His 422	-	expression tag
His 423	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	47803.7
Non-Polymers*	Number of molecules	2
	Total formula weight	1342.5
All*	Total formula weight	49146.2

*Water molecules are not included.