Structure of PDB 4xjt Chain A

Receptor sequence
>4xjtA (length=241) Species: 9606 (Homo sapiens) [Search protein sequence]
WRQQWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFIS
KHPCDITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTL
EDTLLGYLADDLTWCGEFATSKINYQSCPDWRKDCSNNPVSVFWKTVSRR
FAEAACDVVHVMLDGSRSKIFDKDSTFGSVQVHNLQPEKVQTLEAWVIHG
SRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKN
3D structure
PDB4xjt Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.
ChainA
Resolution2.6 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) E146 T221 Q226
Catalytic site (residue number reindexed from 1) E101 T176 Q181
Enzyme Commision number 2.4.99.20: 2'-phospho-ADP-ribosyl cyclase/2'-phospho-cyclic-ADP-ribose transferase.
3.2.2.-
3.2.2.6: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 41Z A W125 E146 D155 S186 W189 K190 T221 W80 E101 D110 S141 W144 K145 T176 PDBbind-CN: -logKd/Ki=5.14,IC50=7200nM
BindingDB: IC50=7200nM
BS02 NA7 A W125 R127 W176 D219 S220 T221 Q226 W80 R82 W131 D174 S175 T176 Q181
Gene Ontology
Molecular Function
GO:0061809 NAD+ nucleotidase, cyclic ADP-ribose generating

View graph for
Molecular Function
External links
PDB RCSB:4xjt, PDBe:4xjt, PDBj:4xjt
PDBsum4xjt
PubMed26267483
UniProtP28907|CD38_HUMAN ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (Gene Name=CD38)

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