Structure analysis

Crystal structure of trypsin complexed with the BPTI variant (Tyr35->Gly)

X-ray diffraction
1.65Å resolution
Source organism: Bos taurus
Assemblies composition:
hetero dimer (preferred)
hetero octamer
hetero tetramer
Entry contents: 2 distinct polypeptide molecules

Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero dimer

Binding statistics and energies are not available for this assembly
Assembly 2
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Multimeric state: hetero octamer

Binding statistics and energies are not available for this assembly
Assembly 3
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Multimeric state: hetero tetramer
Accessible surface area: 20800 Å2
Buried surface area: 11100 Å2
Dissociation area: 1,800 Å2
Dissociation energy (ΔGdiss): 20 kcal/mol
Dissociation entropy (TΔSdiss): 14 kcal/mol
Interface energy (ΔGint): -302 kcal/mol
Symmetry number: 2
Assembly 4
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Multimeric state: hetero tetramer
Accessible surface area: 22000 Å2
Buried surface area: 9800 Å2
Dissociation area: 800 Å2
Dissociation energy (ΔGdiss): 12 kcal/mol
Dissociation entropy (TΔSdiss): 13 kcal/mol
Interface energy (ΔGint): -253 kcal/mol
Symmetry number: 2
Assembly 5
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Multimeric state: hetero tetramer

Binding statistics and energies are not available for this assembly
Assembly 6
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Multimeric state: hetero dimer

Binding statistics and energies are not available for this assembly

Macromolecules

Chain: A
Length: 223 amino acids
Theoretical weight: 23.33 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00760 (Residues: 24-246; Coverage: 97%)
Pfam: Trypsin
InterPro:
CATH: Trypsin-like serine proteases

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Chain: B
Length: 58 amino acids
Theoretical weight: 6.42 KDa
Source organism: Bos taurus
Expression system: Escherichia coli HB101
UniProt:
  • Canonical: P00974 (Residues: 36-93; Coverage: 73%)
Pfam: Kunitz/Bovine pancreatic trypsin inhibitor domain
InterPro:
CATH: Pancreatic trypsin inhibitor Kunitz domain
SCOP: Small Kunitz-type inhibitors & BPTI-like toxins

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