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Structure of a GH3 B-glicosidase from cow rumen metagenome in complexed with xylose

Analyse Structure of a GH3 B-glicosidase from cow rumen metagenome in complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5K6N
Type
protein
Length
792 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
B-glucosidase
Ligands
XYP, SO4
Pockets
6 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AB-glucosidaseprotein79230% helix, 24% strand—

Ligands and binding sites

  • XYP · beta-D-xylopyranose · sugar · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A
  • GOL · Glycerol · additive · 5 copies · chains A

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12780.630.8147GOL
21370.560.8223empty
32220.470.7430empty
41540.410.7425empty
5570.410.8117XYP

Compared structures

  • 5K6N · Structure of a GH3 b-glicosidase from cow rumen metagenome in complexed with xylose · the same entry in another collection · chain A against A, TM-score 1.00

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