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Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203C)

Analyse Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203C) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6C01
Type
protein
Length
1,626 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ectonucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE family member 3
EC
3.1.4.1, 3.6.1.9
UniProt
O14638
Ligands
NAG, BMA, FUC, MAN, ZN, CA, NA
Pockets
20 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEctonucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE family member 3 (EC 3.1.4.1, 3.6.1.9)protein81930% helix, 18% strandO14638
BEctonucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE family member 3 (EC 3.1.4.1, 3.6.1.9)protein80730% helix, 18% strandO14638

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 34 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 7 copies
  • FUC · alpha-L-fucopyranose · sugar · 7 copies · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · 5 copies
  • ZN · Zinc ion · metal · 4 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15000.660.7758empty
21200.610.8624empty
31360.600.8424empty
42840.560.7734empty
51310.540.8225empty

Interfaces

1 interface between chains.

  • A–B · 863 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 disulfide, 18 glycan (disulfide, N-glycosylation).

Compared structures

  • 6C01 · Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203c) · the same entry in another collection · chain A against A, TM-score 1.00
  • O14638 · AlphaFold monomer V2.0 prediction for ectonucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE… · a predicted model of the same protein · chain A against A, TM-score 1.00

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