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Beta-D-xylosidase, a family 43 glycoside hydrolase

Analyse Beta-D-xylosidase, a family 43 glycoside hydrolase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1Y7B
Type
protein
Length
2,136 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-xylosidase, family 43 glycosyl hydrolase
EC
3.2.1.37
UniProt
Q97DM1
Ligands
CA, SO4
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 1% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DBeta-xylosidase, family 43 glycosyl hydrolase (EC 3.2.1.37)protein5341% helix, 47% strandQ97DM1

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B, C, D
  • SO4 · Sulfate ion · ion · 6 copies · chains A, B, D
  • GOL · Glycerol · additive · 14 copies · chains A, C, B, D
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 4 copies · chains A, B, C, D
  • PGE · Triethylene glycol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17260.790.8345empty
27100.790.8345empty
33210.670.8227empty
43160.660.8125empty
53110.660.8125empty

Interfaces

4 interfaces between chains.

  • A–B · 2087 Ų buried · 31 hydrogen bonds · protein-protein
  • C–D · 2082 Ų buried · 32 hydrogen bonds · protein-protein
  • B–D · 961 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 956 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 1Y7B · Beta-D-xylosidase, a family 43 glycoside hydrolase · the same entry in another collection · chain A against A, TM-score 1.00

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