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GH5 endoglucanase from a ruminal fungus in complex with cellotriose

Analyse GH5 endoglucanase from a ruminal fungus in complex with cellotriose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3AYS
Type
protein
Length
357 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoglucanase
EC
3.2.1.4
UniProt
Q9URH5
Ligands
BGC
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndoglucanase (EC 3.2.1.4)protein35739% helix, 13% strandQ9URH5

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 3 copies · 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
12910.550.7628BGC

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 3AYS · GH5 endoglucanase from a ruminal fungus in complex with cellotriose · the same entry in another collection · chain A against A, TM-score 1.00

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