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Crystal structure of native alfa-L-rhamnosidase from aspergillus terreus

Analyse Crystal structure of native alfa-L-rhamnosidase from aspergillus terreus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GSZ
Type
protein
Length
863 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpha-L-rhamnosidase
EC
3.2.1.40
UniProt
I0AZ41
Ligands
NAG, MAN, BMA, BGC, CA
Pockets
11 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 23% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlpha-L-rhamnosidase (EC 3.2.1.40)protein86323% helix, 31% strandI0AZ41

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 10 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 4 copies · chains A
  • BGC · beta-D-glucopyranose · sugar · chains A
  • CA · Calcium ion · metal · 21 copies · chains A
  • ACT · Acetate ion · additive · 6 copies · chains A
  • PGE · Triethylene glycol · additive · 4 copies · chains A
  • 1PE · Pentaethylene glycol · additive · 3 copies · chains A
  • PG0 · 2-(2-methoxyethoxy)ethanol · additive · 3 copies · chains A
  • PG4 · Tetraethylene glycol · additive · chains A
  • EDO · 1,2-ethanediol · additive · chains A
  • DTU · (2R,3S)-1,4-dimercaptobutane-2,3-diol · additive · chains A
  • MPO · 3[N-morpholino]propane sulfonic acid · additive · chains A

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

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1980.740.9528CA, PG0
22050.700.8744PG4, EDO, ACT
33670.650.8039CA, MPO
4960.570.8620empty
52530.550.7737empty

Modifications

Observed in the structure: 7 glycan, 1 covalent (N-glycosylation, additive adduct).

Compared structures

  • 6GSZ · Crystal structure of native alfa-L-rhamnosidase from Aspergillus terreus · the same entry in another collection · chain A against A, TM-score 1.00

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