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MolNFT v1 · #135939 · protein

Human alkaline sphingomyelinase (ALK-smase, ENPP7, NPP7)

5UDY · Ectonucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE family…: “Human alkaline sphingomyelinase (ALK-smase, ENPP7, NPP7)”. X-ray diffraction, 5 ligands (NAG, FUC, ZN), 2 pockets (best druggability 0.54). MolNFT v1 #135939 on GenesisL1…

PDB
5UDY
Type
protein
Length
388 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ectonucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE family member 7
EC
3.1.4.12
UniProt
Q6UWV6
Ligands
NAG, FUC, ZN, NA, IOD
Pockets
2 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEctonucleotide PYROPHOSPHATASE/PHOSPHODIESTERASE family member 7 (EC 3.1.4.12)protein38831% helix, 21% strandQ6UWV6

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A
  • FUC · alpha-L-fucopyranose · sugar · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · chains A
  • IOD · Iodide ion · ion · 25 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12380.540.7731ZN, IOD
2560.420.8215empty

Modifications

Observed in the structure: 4 glycan (N-glycosylation).

Compared structures

  • 5UDY · Human alkaline sphingomyelinase (alk-SMase, ENPP7, NPP7) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q6UWV6 · 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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