The S45A, T46A mutant of the type I cohesin-dockerin complex from the cellulosome of clostridium thermocellum

Structure

x-ray diffraction · 2 distinct chains · 15% helix, 36% strand (DSSP).

Ligands and binding sites

• CA · Calcium ion · metal · 4 copies · chains B, D
• PO4 · Phosphate ion · ion · 2 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• A–C · 941 Ų buried · 7 hydrogen bonds · protein-protein
• C–D · 854 Ų buried · 22 hydrogen bonds · protein-protein
• A–B · 849 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

• 2CCL · The S45A, T46A mutant of the type I cohesin-dockerin complex from the cellulosome of… · the same entry in another collection · chain A against A, TM-score 1.00
• P51584 · AlphaFold monomer V2.0 prediction for endo-1,4-beta-xylanase Y (P51584) · a predicted model of the same protein · chain B against A, TM-score 0.98
• Q06851 · AlphaFold monomer V2.0 prediction for cellulosomal-scaffolding protein a (Q06851) · a predicted model of the same protein · chain C against A, TM-score 0.94

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 Q06851
• Every structure of UniProt P51584
• Elsewhere: RCSB PDB 2CCL · PDBe 2CCL · UniProt Q06851 · UniProt P51584