4NTJ

Structure of the human P2Y12 receptor in complex with an antithrombotic drug

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 12,Soluble cytochrome b562,P2Y purinoceptor 12	polymer	466	53248.9	1	UniProt (Q9H244) UniProt (P0ABE7) Pfam (PF00001) Pfam (PF07361)	Homo sapiens (Human)	P2Y12,ADP-glucose receptor,ADPG-R,P2T(AC),P2Y(AC),P2Y(cyc),P2Y12 platelet ADP receptor,P2Y(ADP),SP1999
2	B (A)	ethyl 6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyano-2-methylpyridine-3-carboxylate	non-polymer		470.5	1	Chemie (AZJ)
3	C, D (A)	CHOLESTEROL	non-polymer		386.7	2	Chemie (CLR)
4	E, F (A)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	2	Chemie (OLC)
5	G (A)	water	water		18.0	12	Chemie (HOH)

Sequence modifications

A: 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

A: 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

A: 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	5
	Total formula weight	1956.9
All*	Total formula weight	55205.8

*Water molecules are not included.