7WR6

Crystal structure of ADP-riboxanated caspase-4 in complex with Af1521

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Caspase-4	polymer	280	32095.4	1	UniProt (P49662) Pfam (PF00656) In PDB	Homo sapiens (human)	CASP-4,ICE and Ced-3 homolog 2,ICH-2,ICE(rel)-II,Mih1,Protease TX
2	B	ADP-ribose glycohydrolase AF_1521	polymer	200	21706.1	1	UniProt (O28751) Pfam (PF01661) In PDB	Archaeoglobus fulgidus	[Protein ADP-ribosylaspartate] hydrolase AF_1521,[Protein ADP-ribosylglutamate] hydrolase AF_1521
3	B	[[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate	non-polymer		682.5	1	Chemie (5ZY)
4		water	water		18.0	189	Chemie (HOH)

Sequence modifications

A: 102 - 377 (UniProt: P49662)

PDB	External Database	Details
Ser 98	-	expression tag
Gly 99	-	expression tag
Arg 100	-	expression tag
Pro 101	-	expression tag
Ala 258	Cys 258	engineered mutation

B: 1 - 192 (UniProt: O28751)

PDB	External Database	Details
Gly -7	-	expression tag
Pro -6	-	expression tag
Leu -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
Pro 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	53801.5
Non-Polymers*	Number of molecules	1
	Total formula weight	682.5
All*	Total formula weight	54484.0

*Water molecules are not included.