9T9P

Adenosine receptor A2a (A2AR)-beta-lactamase fusion bound to beta-lactamase inhibitory protein II (BLIPII) and 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)	Beta-lactamase inhibitory protein II	polymer	287	29044.7	1	UniProt (O87916)	Streptomyces exfoliatus
2	B (B)	Adenosine receptor A2a,Small exopenicillinase,Green fluorescent protein	polymer	846	94983.2	1	UniProt (P29274) UniProt (P00808) UniProt (P42212)	Homo sapiens
3	C (B)	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) PubChem (176407)

Sequence modifications

A: 41 - 311 (UniProt: O87916)

PDB	External Database	Details
Met 40	-	initiating methionine
Gly 312	-	expression tag
Ser 313	-	expression tag
Gly 314	-	expression tag
Ser 315	-	expression tag
Gly 316	-	expression tag
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

B: 2 - 214 (UniProt: P29274)

PDB	External Database	Details
Met -22	-	initiating methionine
Lys -21	-	expression tag
Thr -20	-	expression tag
Ile -19	-	expression tag
Ile -18	-	expression tag
Ala -17	-	expression tag
Leu -16	-	expression tag
Ser -15	-	expression tag
Tyr -14	-	expression tag
Ile -13	-	expression tag
Phe -12	-	expression tag
Cys -11	-	expression tag
Leu -10	-	expression tag
Val -9	-	expression tag
Phe -8	-	expression tag
Ala -7	-	expression tag
Asp -6	-	expression tag
Tyr -5	-	expression tag
Lys -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Asp 0	-	expression tag
Lys 1	-	expression tag

B: 216 - 469 (UniProt: P00808)

PDB	External Database	Details
Ser 241	Arg 72	conflict
Leu 470	-	linker
Leu 471	-	linker

B: 472 - 568 (UniProt: P29274)

PDB	External Database	Details
Ala 215	-	linker
Glu 569	-	linker
Asn 570	-	linker
Leu 571	-	linker
Tyr 572	-	linker
Phe 573	-	linker
Gln 574	-	linker
Gly 575	-	linker
Val 576	-	linker

B: 577 - 813 (UniProt: P42212)

PDB	External Database	Details
Leu 639	Phe 64	conflict
Thr 640	Ser 65	conflict
Lys 781	Ala 206	conflict
Leu 806	His 231	conflict
His 814	-	expression tag
His 815	-	expression tag
His 816	-	expression tag
His 817	-	expression tag
His 818	-	expression tag
His 819	-	expression tag
His 820	-	expression tag
His 821	-	expression tag
His 822	-	expression tag
His 823	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	124028.0
Non-Polymers*	Number of molecules	1
	Total formula weight	337.3
All*	Total formula weight	124365.3

*Water molecules are not included.