6VUA

X-ray structure of human CD38 catalytic domain with 2'-Cl-araNAD+

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1	polymer	257	29763.7	2	UniProt (P28907) Pfam (PF02267) In PDB	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	A, B	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate	non-polymer		561.8	2	Chemie (ROJ)
3	A, B	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
4	A, B	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
5	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	5	Chemie (PEG)
6	A, B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	3	Chemie (MPD)
7	A	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
8		water	water		18.0	502	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	15
	Total formula weight	2427.0
All*	Total formula weight	61954.4

*Water molecules are not included.