› 3p5s

X-ray diffraction
1.95Å resolution

Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex

Released:
DOI: 10.2210/pdb3p5s/pdb
PDB entry 3p5s coloured by chain, front view.
PDB entry 3p5s coloured by chain, side view.
PDB entry 3p5s coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates.
Egea PF, Muller-Steffner H, Kuhn I, Cakir-Kiefer C, Oppenheimer NJ, Stroud RM, Kellenberger E, Schuber F
PLoS One 7 e34918 (2012)
PMID: 22529956

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-193578 (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: 278 amino acids
Theoretical weight: 31.59 KDa
Source organism: Bos taurus
Expression system: Komagataella pastoris
UniProt:
  • Canonical: Q9TTF5 (Residues: 1-278; Coverage: 100%)
Gene name: CD38
Sequence domains: ADP-ribosyl cyclase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand NAG 2 x NAG
Ligand SO4 2 x SO4
Ligand AVU 2 x AVU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 46.205Å b: 80.029Å c: 157.725Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.205 0.252
Expression system: Komagataella pastoris

Quick links

Citations

1 review citation

Sirtuins: NAD(+)-dependent deacetylase mechanism and regulation.
Sauve et al. (2012)
11 other articles

2 mentions without citation

Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates.
Egea et al. (2012)
1 more