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The truncated fibrobacter succinogenes 1,3-1,4-beta-D-glucanase V18Y/W203Y in complex with cellotetraose (cellobiose density was observed)

Analyse The truncated fibrobacter succinogenes 1,3-1,4-beta-D-glucanase V18Y/W203Y in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3AXE
Type
protein
Length
234 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-glucanase
EC
3.2.1.73
UniProt
P17989
Ligands
BGC, CA
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-glucanase (EC 3.2.1.73)protein2346% helix, 51% strandP17989

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
  • CA · Calcium ion · metal · 4 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · 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
12250.550.7831BGC, TRS

Compared structures

  • 3AXE · The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase V18Y/W203Y in complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • P17989 · AlphaFold monomer V2.0 prediction for beta-glucanase (P17989) · a predicted model of the same protein · chain A against A, TM-score 1.00

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