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HA1 subcomponent of botulinum type C progenitor toxin complexed with N-acetylneuramic acid

X-ray diffraction
2.2Å resolution
PDB entry 3ah1 coloured by chain, front view.
PDB entry 3ah1 coloured by chain, side view.
PDB entry 3ah1 coloured by chain, top view.
Source organism: Clostridium botulinum
Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1
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Assembly Name: Main hemagglutinin component type C
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Multimeric state: monomeric
Accessible surface area: 12681.58 Å2
Buried surface area: 888.75 Å2
Dissociation area: 226.58 Å2
Dissociation energy (ΔGdiss): -2.22 kcal/mol
Dissociation entropy (TΔSdiss): 3.96 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-144104
Assembly 2 (preferred)
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Assembly Name: Main hemagglutinin component type C
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Multimeric state: monomeric
Accessible surface area: 13383.57 Å2
Buried surface area: 435.57 Å2
Dissociation area: 217.78 Å2
Dissociation energy (ΔGdiss): -0.83 kcal/mol
Dissociation entropy (TΔSdiss): 3.99 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-144104
Assembly 3
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Assembly Name: Main hemagglutinin component type C
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Multimeric state: homo dimer
Accessible surface area: 23251.53 Å2
Buried surface area: 4137.94 Å2
Dissociation area: 1,406.81 Å2
Dissociation energy (ΔGdiss): 5.93 kcal/mol
Dissociation entropy (TΔSdiss): 13.7 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-144105

Macromolecules

Main hemagglutinin component type C
Chains: A, B
Length: 288 amino acids
Theoretical weight: 34.08 KDa
Source organism: Clostridium botulinum
Expression system: Escherichia coli
UniProt:
  • Canonical: P0DPR0 (Residues: 1-286; Coverage: 100%)
Gene names: HA-33, antP-33, ha1
Pfam: Ricin-type beta-trefoil lectin domain-like
InterPro:
CATH: Trefoil (Acidic Fibroblast Growth Factor, subunit A)
Main hemagglutinin component type C in PDB entry 3ah1, assembly 2, front view.
Main hemagglutinin component type C in PDB entry 3ah1, assembly 2, side view.
Main hemagglutinin component type C in PDB entry 3ah1, assembly 2, top view.
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