› 2qyi

X-ray diffraction
2.6Å resolution

Crystal structure of a binary complex between an engineered trypsin inhibitor and Bovine trypsin

Released:
DOI: 10.2210/pdb2qyi/pdb
PDB entry 2qyi coloured by chain, front view.
PDB entry 2qyi coloured by chain, side view.
PDB entry 2qyi coloured by chain, top view.
Source organisms:
Entry authors: Khamrui S, Dasgupta J, Dattagupta JK, Sen U

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: Arg-|-, Lys-|-.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133368 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine protease 1 Chains: A, C
Molecule details ›
Chains: A, C
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
Chymotrypsin inhibitor 3 Chains: B, D
Molecule details ›
Chains: B, D
Length: 183 amino acids
Theoretical weight: 20.31 KDa
Source organism: Psophocarpus tetragonolobus
Expression system: Escherichia coli
UniProt:
  • Canonical: P10822 (Residues: 25-207; Coverage: 100%)
Sequence domains: Trypsin and protease inhibitor
Structure domains: Trefoil (Acidic Fibroblast Growth Factor, subunit A)

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 143.694Å b: 77.437Å c: 72.907Å
α: 90° β: 103° γ: 90°
R-values:
R R work R free
0.208 0.208 0.268
Expression system: Escherichia coli

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