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Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with cellohexaose

Analyse Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1FBW
Type
protein
Length
629 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endo-1,4-beta-glucanase F
EC
3.2.1.4
UniProt
P37698
Ligands
GLC, CA
Pockets
4 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndo-1,4-beta-glucanase F (EC 3.2.1.4)protein62940% helix, 16% strandP37698

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 9 copies · chains A
  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111640.860.87116GLC
2640.420.8119empty
3570.320.7613empty
4530.320.7613empty

Compared structures

  • 1FBW · Crystal structure of the cellulase CEL48F from C. cellulolyticum in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P37698 · AlphaFold monomer V2.0 prediction for endoglucanase F (P37698) · a predicted model of the same protein · chain A against A, TM-score 1.00

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