9K20

Cryo-EM structure of ATP-bound P2Y purinoceptor 2-miniGo-scFv16 complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	P2Y purinoceptor 2	polymer	420	47053.7	1	UniProt (P41231) Pfam (PF00001)	Homo sapiens (human)	P2Y2,ATP receptor,P2U purinoceptor 1,P2U1,P2U receptor 1,Purinergic receptor
2	B (B)	Guanine nucleotide-binding protein G(o) subunit alpha	polymer	226	25218.8	1	UniProt (P09471) Pfam (PF00503)	Homo sapiens (human)
3	C (C)	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	polymer	358	39418.1	1	UniProt (P62873) Pfam (PF00400)	Homo sapiens (human)	Transducin beta chain 1
4	D (D)	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	polymer	71	7861.1	1	UniProt (P59768) Pfam (PF00631)	Homo sapiens (human)	G gamma-I
5	E (E)	Single Fab chain (svFv16)	polymer	289	30814.4	1		Mus musculus
6	F (A)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)

Sequence modifications

A: 1 - 377 (UniProt: P41231)

PDB	External Database	Details
Met -23	-	initiating methionine
Lys -22	-	expression tag
Thr -21	-	expression tag
Ile -20	-	expression tag
Ile -19	-	expression tag
Ala -18	-	expression tag
Leu -17	-	expression tag
Ser -16	-	expression tag
Tyr -15	-	expression tag
Ile -14	-	expression tag
Phe -13	-	expression tag
Cys -12	-	expression tag
Leu -11	-	expression tag
Val -10	-	expression tag
Phe -9	-	expression tag
Ala -8	-	expression tag
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
Ala 0	-	expression tag
Leu 46	Pro 46	conflict
Asn 302	Asp 302	engineered mutation
Ser 312	Arg 312	conflict
His 378	-	expression tag
His 379	-	expression tag
His 380	-	expression tag
His 381	-	expression tag
His 382	-	expression tag
His 383	-	expression tag
Gly 384	-	expression tag
Gly 385	-	expression tag
Ser 386	-	expression tag
Gly 387	-	expression tag
Gly 388	-	expression tag
Leu 389	-	expression tag
Glu 390	-	expression tag
Val 391	-	expression tag
Leu 392	-	expression tag
Phe 393	-	expression tag
Gln 394	-	expression tag
Gly 395	-	expression tag
Pro 396	-	expression tag

B: 1 - 55 (UniProt: P09471)

PDB	External Database	Details
Asp 6	Glu 9	conflict
Lys 7	Arg 10	conflict
Val 10	Leu 13	conflict
Met 15	-	insertion
Gly 16	Ala 18	conflict
Asp 40	Gly 42	conflict
Asn 41	Glu 43	conflict

B: 64 - 226 (UniProt: P09471)

PDB	External Database	Details
Gly 56	-	linker
Gly 57	-	linker
Ser 58	-	linker
Gly 59	-	linker
Gly 60	-	linker
Ser 61	-	linker
Gly 62	-	linker
Gly 63	-	linker
Asp 109	Ala 227	conflict
Asp 112	Gly 230	conflict
-	Asp 232	deletion
-	Gln 233	deletion
-	Val 234	deletion
-	Leu 235	deletion
-	His 236	deletion
-	Glu 237	deletion
-	Asp 238	deletion
-	Glu 239	deletion
-	Thr 240	deletion
-	Thr 241	deletion
Asp 122	Leu 250	conflict
Ala 204	Ile 332	conflict
Ile 207	Val 335	conflict

C: 2 - 340 (UniProt: P62873)

PDB	External Database	Details
Met -17	-	initiating methionine
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Leu -10	-	expression tag
Glu -9	-	expression tag
Val -8	-	expression tag
Leu -7	-	expression tag
Phe -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Pro -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	150366.2
Non-Polymers*	Number of molecules	1
	Total formula weight	507.2
All*	Total formula weight	150873.3

*Water molecules are not included.