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Crystal structure of aspergillus fumigatus EGA3

Analyse Crystal structure of aspergillus fumigatus EGA3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OJ1
Type
protein
Length
251 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endo alpha-1,4 polygalactosaminidase
UniProt
Q4WX16
Ligands
NAG, MAN, BMA, K
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndo alpha-1,4 polygalactosaminidaseprotein25132% helix, 22% strandQ4WX16

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 5 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 2 copies · chains A
  • K · Potassium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13110.530.7437K

Modifications

Observed in the structure: 5 glycan, 3 disulfide (N-glycosylation, disulfide).

Compared structures

  • 6OJ1 · Crystal Structure of Aspergillus fumigatus Ega3 · the same entry in another collection · chain A against A, TM-score 1.00

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