4TMF

Crystal structure of human CD38 in complex with hydrolysed compound JMS713

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	29812.7	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	5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribofuranose	non-polymer		515.3	2	Chemie (JS2)
3		water	water		18.0	80	Chemie (HOH)

Sequence modifications

A, B: 50 - 300 (UniProt: P28907)

PDB	External Database	Details
Glu 44	-	expression tag
Phe 45	-	expression tag
Trp 46	-	expression tag
Arg 47	-	expression tag
Gln 48	-	expression tag
Thr 49	-	expression tag
Asp 100	Asn 100	engineered mutation
Asp 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	59625.5
Non-Polymers*	Number of molecules	2
	Total formula weight	1030.6
All*	Total formula weight	60656.1

*Water molecules are not included.