7PP1

Crystal structure of the P2Y12 receptor in complex with the inverse agonist selatogrel.

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (AAA)	P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12	polymer	466	53248.9	1	UniProt (Q9H244) UniProt (P0ABE7) Pfam (PF00001)	Homo sapiens (Human)	P2Y12,ADP-glucose receptor,ADPG-R,P2T(AC),P2Y(AC),P2Y(cyc),P2Y12 platelet ADP receptor,P2Y(ADP),SP1999,Cytochrome b-562,P2Y12,ADP-glucose receptor,ADPG-R,P2T(AC),P2Y(AC),P2Y(cyc),P2Y12 platelet ADP receptor,P2Y(ADP),SP1999
2	B (AAA)	Selatogrel	non-polymer		618.6	1	Chemie (7Y5)
3	C (AAA)	CHOLESTEROL	non-polymer		386.7	1	Chemie (CLR)
4	D (AAA)	water	water		18.0	1	Chemie (HOH)

Sequence modifications

AAA: 2 - 223 (UniProt: Q9H244)

PDB	External Database	Details
Asp -8	-	expression tag
Tyr -7	-	expression tag
Lys -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag
Pro 1	-	expression tag

AAA: 1001 - 1106 (UniProt: P0ABE7)

PDB	External Database	Details
Trp 1007	Met 29	engineered mutation
Ile 1102	His 124	engineered mutation
Leu 1106	Arg 128	engineered mutation

AAA: 224 - 342 (UniProt: Q9H244)

PDB	External Database	Details
Asn 294	Asp 294	engineered mutation
Gly 343	-	expression tag
Arg 344	-	expression tag
Pro 345	-	expression tag
Leu 346	-	expression tag
Glu 347	-	expression tag
Val 348	-	expression tag
Leu 349	-	expression tag
Phe 350	-	expression tag
Gln 351	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	53248.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1005.3
All*	Total formula weight	54254.2

*Water molecules are not included.