8D0M

Human CD38 ectodomain bound to a 78c-ADPR adduct

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1	polymer	265	30672.7	1	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	[[(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-[5-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]-1,3-thiazol-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate	non-polymer		955.8	1	Chemie (Q2C)
3		water	water		18.0	117	Chemie (HOH)

Sequence modifications

A: 45 - 300 (UniProt: P28907)

PDB	External Database	Details
Asp 100	Asn 100	engineered mutation
Ala 164	Asn 164	engineered mutation
Asp 209	Asn 209	engineered mutation
Asp 219	Asn 219	engineered mutation
Gly 301	-	expression tag
Gly 302	-	expression tag
Ser 303	-	expression tag
Glu 304	-	expression tag
Asn 305	-	expression tag
Leu 306	-	expression tag
Tyr 307	-	expression tag
Phe 308	-	expression tag
Gln 309	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30672.7
Non-Polymers*	Number of molecules	1
	Total formula weight	955.8
All*	Total formula weight	31628.5

*Water molecules are not included.