› 7lov

X-ray diffraction
2.5Å resolution

Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and noeuromycin

Released:
DOI: 10.2210/pdb7lov/pdb
Model geometry
Fit model/data
PDB entry 7lov coloured by chain, front view.
PDB entry 7lov coloured by chain, side view.
PDB entry 7lov coloured by chain, top view.
Source organism: Clostridioides difficile
Primary publication:
Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues.
Paparella AS, Aboulache BL, Harijan RK, Potts KS, Tyler PC, Schramm VL
OpenAccess logo Nat Commun 12 6285 (2021)
PMID: 34725358

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glucosyltransferase TcdB Chains: A, B
Molecule details ›
Chains: A, B
Length: 552 amino acids
Theoretical weight: 64.31 KDa
Source organism: Clostridioides difficile
Expression system: Escherichia coli
UniProt:
  • Canonical: P18177 (Residues: 2-545; Coverage: 23%)
Gene names: tcdB, toxB
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand NOY 2 x NOY
Ligand UDP 2 x UDP
Ligand GOL 5 x GOL
Ligand MN 2 x MN
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: NSLS-II BEAMLINE 17-ID-1
Spacegroup: C2
Unit cell:
a: 152.589Å b: 82.676Å c: 113.227Å
α: 90° β: 92.43° γ: 90°
R-values:
R R work R free
0.21 0.208 0.248
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Clostridioides difficile TcdB Toxin Glucosylates Rho GTPase by an SNi Mechanism and Ion Pair Transition State.
Paparella et al. (2022)
4 more

1 mention without citation

Inhibition of Clostridium difficile TcdA and TcdB toxins with transition state analogues.
Paparella et al. (2021)