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High resolution structure for family 3A carbohydrate binding module from the cipa scaffolding of clostridium thermocellum

Analyse High resolution structure for family 3A carbohydrate binding module from the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4B9F
Type
protein
Length
304 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cellulosomal-scaffolding protein a
UniProt
Q06851
Ligands
CA, SO4
Pockets
2 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCellulosomal-scaffolding protein aprotein1524% helix, 57% strandQ06851

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11220.530.8228empty
21230.480.7926empty

Interfaces

1 interface between chains.

  • A–B · 663 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 4B9F · High resolution structure for family 3a carbohydrate binding module from the cipA… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q06851 · AlphaFold monomer V2.0 prediction for cellulosomal-scaffolding protein a (Q06851) · a predicted model of the same protein · chain A against A, TM-score 0.99

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