› 3zx3

X-ray diffraction
1.7Å resolution

Crystal Structure and Domain Rotation of NTPDase1 CD39

Released:
DOI: 10.2210/pdb3zx3/pdb
PDB entry 3zx3 coloured by chain, front view.
PDB entry 3zx3 coloured by chain, side view.
PDB entry 3zx3 coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Crystallographic evidence for a domain motion in rat nucleoside triphosphate diphosphohydrolase (NTPDase) 1.
Zebisch M, Krauss M, Schäfer P, Sträter N
J Mol Biol 415 288-306 (2012)
PMID: 22100451

Function and Biology Details

Reaction catalysed: 
(1a) a nucleoside 5'-triphosphate + H(2)O = a nucleoside 5'-diphosphate + phosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161321 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ectonucleoside triphosphate diphosphohydrolase 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 452 amino acids
Theoretical weight: 50.58 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: P97687 (Residues: 38-189, 207-477; Coverage: 83%)
Gene names: Cd39, Entpd1
Sequence domains: GDA1/CD39 (nucleoside phosphatase) family
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand CL 27 x CL
Ligand ACY 7 x ACY
Ligand NA 5 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: C2
Unit cell:
a: 163.133Å b: 81.136Å c: 165.465Å
α: 90° β: 117.61° γ: 90°
R-values:
R R work R free
0.177 0.176 0.233
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Enzymes involved in metabolism of extracellular nucleotides and nucleosides: functional implications and measurement of activities.
Yegutkin GG. (2014)
7 more

9 mentions without citation

Cellular function and molecular structure of ecto-nucleotidases.
Zimmermann et al. (2012)
8 more