Brand  (β version)

PDB ID: 4TMF

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Ligands
Code Name Style Show Link
JS2 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 PoSSuM
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Structure summary

Code : 4TMF   PDBj   RCSB PDB   PDBe
Header : Hydrolase/Hydrolase Inhibitor
Title : Crystal structure of human CD38 in complex with hydrolysed compound JMS713
Release Data : 2015-05-13
Compound :
mol_id molecule chains synonym
1 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 A,B 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
ec: 3.2.2.6,2.4.99.20
fragment: ecto domain
mutation: N100D, N164A, N219D, N209D
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Pichia pastoris  (taxid:4922)
gene: CD38
expression_system_strain: X33
expression_system_vector_type: plasmid
expression_system_plasmid: pPICZalpha
Authors : Zhang, H., Swarbrick, J., Potter, B., Hao, Q.
Keywords : CD38, ADP-ribosyl cyclase, cyclic ADP-ribose, X-crystallography, Calcium signaling, inhibitory compound, JMS713, Hydrolase-Hydrolase Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.0500 Å )
Citation :

Cyclic adenosine 5'-diphosphate ribose analogs without a "southern" ribose inhibit ADP-ribosyl cyclase-hydrolase CD38.

Swarbrick, J.M.,Graeff, R.,Zhang, H.  et al.
(2014)  J.Med.Chem.  57 : 8517 - 8529

PubMed: 25226087
DOI: 10.1021/jm501037u

Reaction

Chain : A, B
UniProt : P28907 (CD38_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
2'-phospho-cyclic ADP-ribose + nicotinate = nicotinate-adenine dinucleotide phosphate - PubMed:16690024
right-to-left
NAD(+) = cyclic ADP-beta-D-ribose + nicotinamide + H(+) - PubMed:7961800, PubMed:8253715
left-to-right PubMed:8253715
NAD(+) + H2O = ADP-D-ribose + nicotinamide + H(+) 3.2.2.6 PubMed:16690024, PubMed:8253715
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cyclic ADP-beta-D-ribose + H2O = ADP-D-ribose - PubMed:7961800, PubMed:8253715
left-to-right PubMed:8253715
NADP(+) = 2'-phospho-cyclic ADP-ribose + nicotinamide - PubMed:16690024
-
nicotinate + NADP(+) = nicotinate-adenine dinucleotide phosphate + nicotinamide 2.4.99.20 PubMed:16690024
left-to-right