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The structure of a fungal endo-beta-N-acetylglucosaminidase from glycosyl hydrolase family 18, at 1.3A resolution

Analyse The structure of a fungal endo-beta-N-acetylglucosaminidase from glycosyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4AC1
Type
protein
Length
283 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.3
Source
HYPOCREA JECORINA
Molecule
Endo-N-acetyl-beta-D-glucosaminidase
EC
3.2.1.96
UniProt
C4RA89
Ligands
NAG, ZN
Pockets
1 · best druggability 0.36

Structure

x-ray diffraction · resolution 1.3 · 1 distinct chain · 36% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XEndo-N-acetyl-beta-D-glucosaminidase (EC 3.2.1.96)protein28336% helix, 19% strandC4RA89

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains X
  • ZN · Zinc ion · metal · 8 copies · chains X
  • ACT · Acetate ion · additive · 3 copies · chains X

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1940.360.7530ACT, ZN

Modifications

Observed in the structure: 2 glycan (N-glycosylation).

Compared structures

  • 4AC1 · The structure of a fungal endo-beta-N-acetylglucosaminidase from glycosyl hydrolase… · the same entry in another collection · chain X against X, TM-score 1.00

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