› 4qd2

X-ray diffraction
2.4Å resolution

Molecular basis for disruption of E-cadherin adhesion by botulinum neurotoxin A complex

Released:
DOI: 10.2210/pdb4qd2/pdb
PDB entry 4qd2 coloured by chain, front view.
PDB entry 4qd2 coloured by chain, side view.
PDB entry 4qd2 coloured by chain, top view.
Source organisms:
Primary publication:
Molecular basis for disruption of E-cadherin adhesion by botulinum neurotoxin A complex.
Lee K, Zhong X, Gu S, Kruel AM, Dorner MB, Perry K, Rummel A, Dong M, Jin R
Science 344 1405-10 (2014)
PMID: 24948737

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero pentamer (preferred)
PDBe Complex ID:
PDB-CPX-107629 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Ricin B lectin domain-containing protein Chains: C, D, H, I
Molecule details ›
Chains: C, D, H, I
Length: 296 amino acids
Theoretical weight: 34.08 KDa
Source organism: Clostridium botulinum A str. Hall
Expression system: Escherichia coli
UniProt:
  • Canonical: A5HZZ6 (Residues: 2-293; Coverage: 100%)
Gene names: CBO0803, ha-33, ha33
Sequence domains: Ricin-type beta-trefoil lectin domain-like
Structure domains: Trefoil (Acidic Fibroblast Growth Factor, subunit A)
Hemagglutinin component of the neurotoxin complex Chains: B, G
Molecule details ›
Chains: B, G
Length: 147 amino acids
Theoretical weight: 17.07 KDa
Source organism: Clostridium botulinum A str. Hall
Expression system: Escherichia coli
UniProt:
  • Canonical: A5HZZ5 (Residues: 2-146; Coverage: 99%)
Gene names: CBO0802, ha-17, ha17
Sequence domains: Clostridium botulinum HA-17 domain
Structure domains: Trefoil (Acidic Fibroblast Growth Factor, subunit A)
Hemagglutinin component HA-70 C-terminal domain-containing protein Chains: A, F
Molecule details ›
Chains: A, F
Length: 254 amino acids
Theoretical weight: 28.85 KDa
Source organism: Clostridium botulinum A str. Hall
Expression system: Escherichia coli
UniProt:
  • Canonical: A5HZZ4 (Residues: 378-626; Coverage: 40%)
Gene names: CBO0801, ha70
Sequence domains: Haemagglutinin 70 C-terminal domain
Structure domains: Jelly Rolls
Cadherin-1 Chains: E, J
Molecule details ›
Chains: E, J
Length: 213 amino acids
Theoretical weight: 23.26 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P09803 (Residues: 157-369; Coverage: 25%)
Gene name: Cdh1
Sequence domains: Cadherin domain
Structure domains: Cadherins

Ligands and Environments

1 bound ligand:
Ligand CA 6 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P1
Unit cell:
a: 86.99Å b: 95.73Å c: 96.14Å
α: 116.89° β: 96.34° γ: 93.7°
R-values:
R R work R free
0.21 0.208 0.247
Expression system: Escherichia coli

Quick links

Citations

13 review citations

Botulinum neurotoxins: genetic, structural and mechanistic insights.
Rossetto et al. (2014)
12 more

4 mentions without citation

Architecture of the botulinum neurotoxin complex: a molecular machine for protection and delivery.
Lam et al. (2015)
3 more