› 2g81

X-ray diffraction
1.55Å resolution

Crystal Structure of the Bowman-Birk Inhibitor from Vigna unguiculata Seeds in Complex with Beta-trypsin at 1.55 Angstrons Resolution

Released:
DOI: 10.2210/pdb2g81/pdb
PDB entry 2g81 coloured by chain, front view.
PDB entry 2g81 coloured by chain, side view.
PDB entry 2g81 coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structure of the Bowman-Birk Inhibitor from Vigna unguiculata seeds in complex with beta-trypsin at 1.55 A resolution and its structural properties in association with proteinases.
Barbosa JA, Silva LP, Teles RC, Esteves GF, Azevedo RB, Ventura MM, de Freitas SM
Biophys J 92 1638-50 (2007)
PMID: 17142290

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133361 (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
UniProt:
  • Canonical: P00760 (Residues: 24-246; Coverage: 97%)
Gene names: PRSS1, TRP1, TRY1, TRYP1
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Bowman-Birk serine protease inhibitors family domain-containing protein Chain: I
Molecule details ›
Chain: I
Length: 83 amino acids
Theoretical weight: 9.15 KDa
Source organism: Vigna unguiculata
UniProt:
  • Canonical: Q9S9H8 (Residues: 1-16, 17-78; Coverage: 99%)
Sequence domains: Bowman-Birk serine protease inhibitor family
Structure domains: Cysteine Protease (Bromelain) Inhibitor, subunit H

Ligands and Environments

6 bound ligands:
Ligand CA 1 x CA
Ligand SO4 4 x SO4
Ligand PGE 1 x PGE
Ligand EDO 1 x EDO
Ligand ACY 2 x ACY
Ligand P6G 1 x P6G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE D03B-MX1
Spacegroup: P212121
Unit cell:
a: 60.497Å b: 61.109Å c: 79.264Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.155 0.154 0.169

Quick links

Citations

1 review citation

Plant Protease Inhibitors in Therapeutics-Focus on Cancer Therapy.
Srikanth et al. (2016)
15 other articles

9 mentions without citation

Bowman-Birk Inhibitors: Insights into Family of Multifunctional Proteins and Peptides with Potential Therapeutical Applications.
Gitlin-Domagalska et al. (2020)
8 more