5U2H

Crystal structure of the ATP-gated P2X7 ion channel bound to ATP and allosteric antagonist A804598

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	P2X purinoceptor	polymer	342	38716.2	2	UniProt (G1M6C4) Pfam (PF00864)	Ailuropoda melanoleuca (Giant panda)
2	C, D (C, D)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
3	E, G (A, B)	N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine	non-polymer		315.4	2	Chemie (7S1)
4	F (B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
5	H (B)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)

Sequence modifications

A, B: 23 - 358 (UniProt: G1M6C4)

PDB	External Database	Details
Gly 21	-	expression tag
Ser 22	-	expression tag
Ala 35	Val 36	engineered mutation
Ala 125	Arg 126	engineered mutation
Lys 174	Glu 175	engineered mutation
Ser 241	Asn 242	engineered mutation
Ser 284	Asn 285	engineered mutation
Ser 359	-	expression tag
Ala 360	-	expression tag
Ser 361	-	expression tag
Ser 362	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	77432.5
Branched	Number of molecules	2
	Total formula weight	848.8
Non-Polymers*	Number of molecules	4
	Total formula weight	1359.1
All*	Total formula weight	79640.4

*Water molecules are not included.