› 2i66

X-ray diffraction
1.7Å resolution

Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis

Released:
DOI: 10.2210/pdb2i66/pdb
PDB entry 2i66 coloured by chain, front view.
PDB entry 2i66 coloured by chain, side view.
PDB entry 2i66 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis for the mechanistic understanding of human CD38-controlled multiple catalysis.
Liu Q, Kriksunov IA, Graeff R, Munshi C, Lee HC, Hao Q
J Biol Chem 281 32861-9 (2006)
PMID: 16951430

Function and Biology Details

Reactions catalysed: 
(1a) NADP(+) = 2'-phospho-cyclic ADP-ribose + nicotinamide
(1a) NAD(+) = cyclic ADP-ribose + nicotinamide
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151306 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 262 amino acids
Theoretical weight: 30.38 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P28907 (Residues: 45-300; Coverage: 85%)
Gene name: CD38
Sequence domains: ADP-ribosyl cyclase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand G1R 3 x G1R
Ligand G2R 1 x G2R
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE A1
Spacegroup: P1
Unit cell:
a: 41.71Å b: 52.812Å c: 65.424Å
α: 105.93° β: 91.8° γ: 95.22°
R-values:
R R work R free
0.2 0.182 0.229
Expression system: Komagataella pastoris

Quick links

Citations

7 review citations

Cyclic ADP-ribose and nicotinic acid adenine dinucleotide phosphate (NAADP) as messengers for calcium mobilization.
Lee HC. (2012)
6 more

1 mention without citation

Stimulation of natural killer cells with small molecule inhibitors of CD38 for the treatment of neuroblastoma.
Mills et al. (2023)