6EDR

Crystal Structure of Human CD38 in Complex with 4'-Thioribose NAD+

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)	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1	polymer	257	29763.7	2	UniProt (P28907) Pfam (PF02267)	Homo sapiens (Human)	2'-phospho-ADP-ribosyl cyclase,2'-phospho-ADP-ribosyl cyclase/2'-phospho-cyclic-ADP-ribose transferase,2'-phospho-cyclic-ADP-ribose transferase,ADP-ribosyl cyclase 1,ADPRC 1,Cyclic ADP-ribose hydrolase 1,cADPr hydrolase 1,T10
2	C, D (A, B)	[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)thiolan-2-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		680.5	2	Chemie (ZNA)
3	E, F (A, B)	water	water		18.0	87	Chemie (HOH)

Sequence modifications

A, B: 45 - 300 (UniProt: P28907)

PDB	External Database	Details
Ser 44	-	expression tag
Asp 100	Asn 100	engineered mutation
Ala 164	Asn 164	engineered mutation
Asp 209	Asn 209	engineered mutation
Asp 219	Asn 219	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	59527.5
Non-Polymers*	Number of molecules	2
	Total formula weight	1361.0
All*	Total formula weight	60888.5

*Water molecules are not included.