› 4f45

X-ray diffraction
2.1Å resolution

Crystal structure of human CD38 E226Q mutant in complex with NAADP

Released:
DOI: 10.2210/pdb4f45/pdb
PDB entry 4f45 coloured by chain, front view.
PDB entry 4f45 coloured by chain, side view.
PDB entry 4f45 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal Structures of Human CD38 in Complex with NAADP and ADPRP
Zhang H, Graeff R, Lee HC, Hao Q
Messenger 2 44-53 (2013)

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: 257 amino acids
Theoretical weight: 29.81 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P28907 (Residues: 46-300; Coverage: 85%)
Gene name: CD38
Sequence domains: ADP-ribosyl cyclase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand DN4 2 x DN4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P1
Unit cell:
a: 41.694Å b: 54.565Å c: 63.42Å
α: 109.67° β: 91.11° γ: 93.68°
R-values:
R R work R free
0.174 0.171 0.226
Expression system: Komagataella pastoris

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