The 3-D structure of the cellobiohydrolase, CEL7A, from aspergillus fumigatus, disaccharide complex

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 34% strand (DSSP).

Ligands and binding sites

• SHG · 2-deoxy-2-fluoro-beta-D-glucopyranose · ligand · chains A
• BGC · beta-D-glucopyranose · sugar · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
• ZN · Zinc ion · metal · 2 copies · chains A
• ACT · Acetate ion · additive · 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, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 9 disulfide, 1 glycan, 1 modified (disulfide, N-glycosylation, cyclization).

Compared structures

• 4V20 · The 3-D structure of the cellobiohydrolase, Cel7A, from Aspergillus fumigatus… · the same entry in another collection · chain A against A, TM-score 1.00
• Q4WM08 · AlphaFold monomer V2.0 prediction for probable 1,4-beta-D-glucan cellobiohydrolase B… · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q4WM08
• Elsewhere: RCSB PDB 4V20 · PDBe 4V20 · UniProt Q4WM08