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The exoglucanase cels from clostridium thermocellum

Analyse The exoglucanase cels from clostridium thermocellum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YJ6
Type
protein
Length
636 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dockerin type I repeat-containing protein
UniProt
A0A286AKY4
Ligands
33O
Pockets
3 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADockerin type I repeat-containing proteinprotein63642% helix, 16% strandA0A286AKY4

Ligands and binding sites

  • 33O · 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111410.860.8710933O
2880.400.7718empty
3790.380.7816empty

Compared structures

  • 5YJ6 · The exoglucanase CelS from Clostridium thermocellum · the same entry in another collection · chain A against A, TM-score 1.00

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