› 6wev

X-ray diffraction
2.9Å resolution

Crystal structures of human E-NPP 1: bound to N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide

Released:
DOI: 10.2210/pdb6wev/pdb
PDB entry 6wev coloured by chain, front view.
PDB entry 6wev coloured by chain, side view.
PDB entry 6wev coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of human ENPP1 in apo and bound forms.
Dennis ML, Newman J, Dolezal O, Hattarki M, Surjadi RN, Nuttall SD, Pham T, Nebl T, Camerino M, Khoo PS, Monahan BJ, Peat TS
Acta Crystallogr D Struct Biol 76 889-898 (2020)
PMID: 32876064

Function and Biology Details

Reactions catalysed: 
Hydrolytically removes 5'-nucleotides successively from the 3'-hydroxy termini of 3'-hydroxy-terminated oligonucleotides
A nucleoside triphosphate + H(2)O = a nucleotide + diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149626 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (4 distinct):
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 Chains: AbA, BbB
Molecule details ›
Chains: AbA, BbB
Length: 925 amino acids
Theoretical weight: 105.06 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P22413 (Residues: 1-925; Coverage: 100%)
Gene names: ENPP1, M6S1, NPPS, PC1, PDNP1
Sequence domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
5 bound ligands:
Ligand ZN 3 x ZN
Ligand CA 1 x CA
Ligand NAG 2 x NAG
Ligand TZS 2 x TZS
Ligand PO4 2 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P212121
Unit cell:
a: 82.278Å b: 158.993Å c: 209.23Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.213 0.211 0.253
Expression system: Homo sapiens

Quick links

Citations

1 review citation

Expanding the repertoire of methanocarba nucleosides from purinergic signaling to diverse targets.
Jacobson et al. (2021)
8 other articles

2 mentions without citation

Crystal structures of human ENPP1 in apo and bound forms.
Dennis et al. (2020)
1 more