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Crystal structure beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with tetrasaccharide A obtained by soaking

Analyse Crystal structure beta-glucanase SdGluc5_26A from Saccharophagus degradans in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5A8Q
Type
protein
Length
336 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.9
Source
SACCHAROPHAGUS DEGRADANS 2-40
Molecule
Putative retaining B-glycosidase
EC
3.2.1.73
UniProt
Q21KE5
Ligands
GXT, BGC, MG, CL, SO4
Pockets
2 · best druggability 0.49

Structure

x-ray diffraction · resolution 1.9 · 1 distinct chain · 40% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative retaining B-glycosidase (EC 3.2.1.73)protein33640% helix, 17% strandQ21KE5

Ligands and binding sites

  • GXT · ethanedial · ligand · chains A
  • BGC · beta-D-glucopyranose · sugar · 4 copies · chains A
  • MG · Magnesium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · chains A
  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · chains A
  • PGE · Triethylene glycol · additive · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11770.490.7723BGC
2750.290.7219empty

Compared structures

  • 5A8Q · Crystal structure beta-glucanase SDGLUC5_26A from saccharophagus degradans in complex… · the same entry in another collection · chain A against A, TM-score 1.00

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