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Crystal structure of the LC/A1-DARPin18 complex

X-ray diffraction
2.7Å resolution
PDB entry 8hkh coloured by chain, front view.
PDB entry 8hkh coloured by chain, side view.
PDB entry 8hkh coloured by chain, top view.
Source organisms:
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Botulinum neurotoxin A light chain
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Multimeric state: hetero dimer
Accessible surface area: 25156.73 Å2
Buried surface area: 2027.57 Å2
Dissociation area: 963.53 Å2
Dissociation energy (ΔGdiss): -5.99 kcal/mol
Dissociation entropy (TΔSdiss): 12.48 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-272768
Assembly 2
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Assembly Name: Botulinum neurotoxin A light chain
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Multimeric state: hetero dimer
Accessible surface area: 24998.95 Å2
Buried surface area: 2010.73 Å2
Dissociation area: 955.16 Å2
Dissociation energy (ΔGdiss): -5.08 kcal/mol
Dissociation entropy (TΔSdiss): 12.48 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-272768

Macromolecules

Botulinum neurotoxin A light chain
Chains: A, B
Length: 436 amino acids
Theoretical weight: 49.95 KDa
Source organism: Clostridium botulinum
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: P0DPI1 (Residues: 2-421; Coverage: 32%)
Gene names: CBO0806, CLC_0862, bna, botA
Pfam: Clostridial neurotoxin zinc protease
Botulinum neurotoxin A light chain in PDB entry 8hkh, assembly 1, front view.
Botulinum neurotoxin A light chain in PDB entry 8hkh, assembly 1, side view.
Botulinum neurotoxin A light chain in PDB entry 8hkh, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P0DPI1  
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Designed ankyrin repeat protein 18
Chains: C, D
Length: 149 amino acids
Theoretical weight: 16.34 KDa
Source organism: synthetic construct
Expression system: Escherichia coli K-12
Designed ankyrin repeat protein 18 in PDB entry 8hkh, assembly 1, front view.
Designed ankyrin repeat protein 18 in PDB entry 8hkh, assembly 1, side view.
Designed ankyrin repeat protein 18 in PDB entry 8hkh, assembly 1, top view.
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