Brand  (β version)

PDB ID: 3U4H

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Ligands
Code Name Style Show Link
C8R 8-amino-n1-cyclic inosine 5'-diphosphoribose PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3U4H   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : CD38 structure-based inhibitor design using the N1-cyclic inosine 5'-diphosphate ribose template
Release Data : 2012-10-10
Compound :
mol_id molecule chains synonym
1 ADP-ribosyl cyclase 1 A,B Cyclic ADP-ribose hydrolase 1, cADPr hydrolase 1, T10
ec: 3.2.2.5
fragment: extracellular domain, enzymatic domain
mutation: Q49T, N100D, N164D, N209D, N219D
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Pichia Pastoris  (taxid:4922)
gene: CD38
Authors : Liu, Q., Hao, Q., Lee, H.C., Graeff, R.
Keywords : non-hydrolyzable inhibitor, two domains, cADPR cyclization, hydrolysis, 8-amino-N1-cIDPR, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.878 Å )
Citation :

CD38 Structure-Based Inhibitor Design Using the N1-Cyclic Inosine 5'-Diphosphate Ribose Template

Moreau, C.,Liu, Q.,Graeff, R.  et al.
(2013)  Plos One  8 : e66247 - e66247

PubMed: 23840430
DOI: 10.1371/journal.pone.0066247

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 + H(+) + nicotinamide - PubMed:7961800, PubMed:8253715
left-to-right PubMed:8253715
H2O + NAD(+) = ADP-D-ribose + H(+) + nicotinamide 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
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NADP(+) + nicotinate = nicotinamide + nicotinate-adenine dinucleotide phosphate 2.4.99.20 PubMed:16690024
left-to-right