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The unliganded structure of C.BESCII cela GH48 module

Analyse The unliganded structure of C.BESCII cela GH48 module in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4EL8
Type
protein
Length
621 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycoside hydrolase family 48
UniProt
B9MKU7
Ligands
CA, SO4
Pockets
1 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycoside hydrolase family 48protein62141% helix, 16% strandB9MKU7

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A
  • EDO · 1,2-ethanediol · 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
111000.860.87109EDO

Compared structures

  • 4EL8 · The unliganded structure of C.bescii CelA GH48 module · the same entry in another collection · chain A against A, TM-score 1.00

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