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Human cationic trypsin K97D mutant in complex with bovine pancreatic trypsin inhibitor (BPTI)

X-ray diffraction
2.1Å resolution
PDB entry 4wxv coloured by chain, front view.
PDB entry 4wxv coloured by chain, side view.
PDB entry 4wxv 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: Pancreatic trypsin inhibitor and Serine protease 1
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Multimeric state: hetero dimer
Accessible surface area: 11942.59 Å2
Buried surface area: 1807.55 Å2
Dissociation area: 717.71 Å2
Dissociation energy (ΔGdiss): 3.68 kcal/mol
Dissociation entropy (TΔSdiss): 10.46 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133752
Assembly 2
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Assembly Name: Pancreatic trypsin inhibitor and Serine protease 1
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Multimeric state: hetero dimer
Accessible surface area: 12039.41 Å2
Buried surface area: 1891.75 Å2
Dissociation area: 716.12 Å2
Dissociation energy (ΔGdiss): 4.97 kcal/mol
Dissociation entropy (TΔSdiss): 10.45 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133752

Macromolecules

Serine protease 1
Chains: A, B
Length: 224 amino acids
Theoretical weight: 24.09 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P07477 (Residues: 24-247; Coverage: 97%)
Gene names: PRSS1, TRP1, TRY1, TRYP1
Pfam: Trypsin
InterPro:
CATH: Trypsin-like serine proteases
Serine protease 1 in PDB entry 4wxv, assembly 1, front view.
Serine protease 1 in PDB entry 4wxv, assembly 1, side view.
Serine protease 1 in PDB entry 4wxv, assembly 1, top view.
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Pancreatic trypsin inhibitor
Chains: C, I
Length: 55 amino acids
Theoretical weight: 6.34 KDa
Source organism: Bos taurus
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P00974 (Residues: 36-90; Coverage: 70%)
Pfam: Kunitz/Bovine pancreatic trypsin inhibitor domain
InterPro:
CATH: Pancreatic trypsin inhibitor Kunitz domain
Pancreatic trypsin inhibitor in PDB entry 4wxv, assembly 1, front view.
Pancreatic trypsin inhibitor in PDB entry 4wxv, assembly 1, side view.
Pancreatic trypsin inhibitor in PDB entry 4wxv, assembly 1, top view.
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