› 3pee

X-ray diffraction
2.1Å resolution

Structure of the C. difficile TcdB cysteine protease domain

Released:
DOI: 10.2210/pdb3pee/pdb
PDB entry 3pee coloured by chain, front view.
PDB entry 3pee coloured by chain, side view.
PDB entry 3pee coloured by chain, top view.
Source organism: Clostridioides difficile 630
Primary publication:
Defining an allosteric circuit in the cysteine protease domain of Clostridium difficile toxins.
Shen A, Lupardus PJ, Gersch MM, Puri AW, Albrow VE, Garcia KC, Bogyo M
Nat Struct Mol Biol 18 364-71 (2011)
PMID: 21317893

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172720 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidase C80 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 254 amino acids
Theoretical weight: 28.9 KDa
Source organism: Clostridioides difficile 630
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q189K3 (Residues: 544-797; Coverage: 11%)
Gene names: CD630_06600, tcdB
Sequence domains: Peptidase C80 family
Structure domains: Rossmann fold

Ligands and Environments

2 bound ligands:
Ligand CA 1 x CA
Ligand IHP 2 x IHP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: C2
Unit cell:
a: 128.11Å b: 45.71Å c: 87.35Å
α: 90° β: 103.48° γ: 90°
R-values:
R R work R free
0.194 0.192 0.24
Expression system: Escherichia coli BL21

Quick links

Citations

14 review citations

Clostridium difficile infection.
Smits et al. (2016)
13 more

8 mentions without citation

Toward a structural understanding of Clostridium difficile toxins A and B.
Pruitt et al. (2012)
7 more