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Lichenase CTLIC26 in complex with a thio-oligosaccharide

Analyse Lichenase CTLIC26 in complex with a thio-oligosaccharide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2VI0
Type
protein
Length
275 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoglucanase H
EC
3.2.1.4
UniProt
P16218
Ligands
MGL, SGC, BGC
Pockets
1 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndoglucanase H (EC 3.2.1.4)protein27537% helix, 20% strandP16218

Ligands and binding sites

  • MGL · methyl beta-D-glucopyranoside · ligand · chains A
  • SGC · 4-thio-beta-D-glucopyranose · ligand · chains A
  • BGC · beta-D-glucopyranose · sugar · 2 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11440.460.7726BGC, MGL

Compared structures

  • 2VI0 · Lichenase CtLic26 in complex with a thio-oligosaccharide · the same entry in another collection · chain A against A, TM-score 1.00
  • P16218 · AlphaFold monomer V2.0 prediction for endoglucanase H (P16218) · a predicted model of the same protein · chain A against A, TM-score 0.99

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