3otj

Hybrid

A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor) by X-ray/Neutron Joint Refinement

Released:
Source organism: Bos taurus
Primary publication:
X-ray and neutron protein crystallographic analysis of the trypsin-BPTI complex.
Acta Crystallogr D Biol Crystallogr 67 140-8 (2011)
PMID: 21245536

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
PDBe Complex ID:
PDB-CPX-133321 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine protease 1 Chain: E
Molecule details ›
Chain: E
Length: 223 amino acids
Theoretical weight: 23.32 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00760 (Residues: 24-246; Coverage: 97%)
Gene names: PRSS1, TRP1, TRY1, TRYP1
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Pancreatic trypsin inhibitor Chain: I
Molecule details ›
Chain: I
Length: 58 amino acids
Theoretical weight: 6.53 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00974 (Residues: 36-93; Coverage: 73%)
Sequence domains: Kunitz/Bovine pancreatic trypsin inhibitor domain
Structure domains: Pancreatic trypsin inhibitor Kunitz domain

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

Experimental Method: Neutron Diffraction, X-ray diffraction
Spacegroup: I222
Unit cell:
a: 75.604Å b: 85.361Å c: 122.551Å α: 90° β: 90° γ: 90°
R-values:
R R work R free 0.209 0.209 0.226
Expression system: Escherichia coli