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Crystal structure of Bothropstoxin I (BthTX-I) complexed to Chicoric acid

X-ray diffraction
1.93Å resolution
PDB entry 6dik coloured by chain, front view.
PDB entry 6dik coloured by chain, side view.
PDB entry 6dik coloured by chain, top view.
Source organism: Bothrops jararacussu
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Basic phospholipase A2 homolog bothropstoxin-I
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Multimeric state: homo dimer
Accessible surface area: 13302.12 Å2
Buried surface area: 2533.5 Å2
Dissociation area: 680.97 Å2
Dissociation energy (ΔGdiss): -1.05 kcal/mol
Dissociation entropy (TΔSdiss): 11.59 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-187442

Macromolecules

Basic phospholipase A2 homolog bothropstoxin-I
Chains: A, B
Length: 121 amino acids
Theoretical weight: 13.75 KDa
Source organism: Bothrops jararacussu
UniProt:
  • Canonical: Q90249 (Residues: 17-137; Coverage: 100%)
Pfam: Phospholipase A2
InterPro:
CATH: Phospholipase A2 domain
Basic phospholipase A2 homolog bothropstoxin-I in PDB entry 6dik, assembly 1, front view.
Basic phospholipase A2 homolog bothropstoxin-I in PDB entry 6dik, assembly 1, side view.
Basic phospholipase A2 homolog bothropstoxin-I in PDB entry 6dik, assembly 1, top view.
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