› 3tgj

X-ray diffraction
2.2Å resolution

S195A TRYPSINOGEN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI)

Released:
DOI: 10.2210/pdb3tgj/pdb
PDB entry 3tgj coloured by chain, front view.
PDB entry 3tgj coloured by chain, side view.
PDB entry 3tgj coloured by chain, top view.
Source organisms:
Primary publication:
Comparison of anionic and cationic trypsinogens: the anionic activation domain is more flexible in solution and differs in its mode of BPTI binding in the crystal structure.
Pasternak A, Ringe D, Hedstrom L
Protein Sci 8 253-8 (1999)
PMID: 10210204

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: Arg-|-, Lys-|-.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133397 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Anionic trypsin-2 Chain: E
Molecule details ›
Chain: E
Length: 233 amino acids
Theoretical weight: 24.93 KDa
Source organism: Rattus norvegicus
Expression system: Saccharomyces cerevisiae
UniProt:
  • Canonical: P00763 (Residues: 15-246; Coverage: 100%)
Gene names: Prss2, Try2
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Pancreatic trypsin inhibitor Chain: I
Molecule details ›
Chain: I
Length: 65 amino acids
Theoretical weight: 7.34 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00974 (Residues: 36-100; Coverage: 82%)
Sequence domains: Kunitz/Bovine pancreatic trypsin inhibitor domain
Structure domains: Pancreatic trypsin inhibitor Kunitz domain

Ligands and Environments

2 bound ligands:
Ligand CA 1 x CA
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P3221
Unit cell:
a: 92.66Å b: 92.66Å c: 62.36Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.197 0.197 0.24
Expression system: Saccharomyces cerevisiae

Quick links

Citations

1 review citation

Invertebrate trypsins: a review.
Muhlia-Almazán et al. (2008)
20 other articles

1 mention without citation

The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity.
Pasternak et al. (2001)