Brand  (β version)

PDB ID: 4XJS

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Ligands
Code Name Style Show Link
733 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide PoSSuM
HSX 5-O-phosphono-alpha-D-ribofuranose PoSSuM
Non-standard Residues
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Structure summary

Code : 4XJS   PDBj   RCSB PDB   PDBe
Header : Hydrolase, Transferase
Title : Human CD38 complexed with inhibitor 1 [6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide]
Release Data : 2015-08-26
Compound :
mol_id molecule chains synonym
1 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 A 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
mutation: N100D, N164A, N209D, N219D
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Pichia  (taxid:4919)
gene: CD38
Authors : Shewchuk, L.M., Deaton, D., Stewart, E.
Keywords : CD38, Hydrolase, Transferase
Exp. method : X-RAY DIFFRACTION ( 2.8000 Å )
Citation :

Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.

Becherer, J.D.,Boros, E.E.,Carpenter, T.Y.  et al.
(2015)  J.Med.Chem.  58 : 7021 - 7056

PubMed: 26267483
DOI: 10.1021/acs.jmedchem.5b00992

Reaction

Chain : A
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