10OT

Crystal structure of mouse CD38 in complex with compound 6

This is a non-PDB format compatible entry.

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	263	30199.6	2	UniProt (P56528)	Mus musculus (house mouse)	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,I-19,NIM-R5 antigen
2	C, E (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~{S},4~{R},5~{R})-5-[3-[4-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-2-yl]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate	non-polymer		858.6	2	Chemie (A1C64)
3	D, F (A, B)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT) PubChem (175)
4	G, H (A, B)	water	water		18.0	225	Chemie (HOH)

Sequence modifications

A, B: 48 - 304 (UniProt: P56528)

PDB	External Database	Details
Asp 104	Asn 104	engineered mutation
Asp 124	Asn 124	engineered mutation
Asp 213	Asn 213	engineered mutation
Asp 223	Asn 223	engineered mutation
Gln 230	Glu 230	engineered mutation
Leu 305	-	expression tag
Glu 306	-	expression tag
Val 307	-	expression tag
Leu 308	-	expression tag
Phe 309	-	expression tag
Gln 310	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60399.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1835.4
All*	Total formula weight	62234.6

*Water molecules are not included.