› 3ru4

X-ray diffraction
1.68Å resolution

Crystal structure of the Bowman-Birk serine protease inhibitor BTCI in complex with trypsin and chymotrypsin

Released:
DOI: 10.2210/pdb3ru4/pdb
PDB entry 3ru4 coloured by chain, front view.
PDB entry 3ru4 coloured by chain, side view.
PDB entry 3ru4 coloured by chain, top view.
Source organisms:
Entry authors: Esteves GF, Santos CR, Ventura MM, Barbosa JARG, Freitas SM

Function and Biology Details

Reactions catalysed: 
Preferential cleavage: Arg-|-, Lys-|-.
Preferential cleavage: Tyr-|-Xaa, Trp-|-Xaa, Phe-|-Xaa, Leu-|-Xaa.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero pentamer (preferred)
PDBe Complex ID:
PDB-CPX-133320 (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
Serine protease 1 Chain: T
Molecule details ›
Chain: T
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 type seed trypsin and chymotrypsin inhibitor Chain: B
Molecule details ›
Chain: B
Length: 61 amino acids
Theoretical weight: 6.69 KDa
Source organism: Vigna unguiculata
UniProt:
  • Canonical: P17734 (Residues: 14-74; Coverage: 74%)
Structure domains: Cysteine Protease (Bromelain) Inhibitor, subunit H
Chymotrypsin A chain A Chain: C
Molecule details ›
Chain: C
Length: 11 amino acids
Theoretical weight: 1.08 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00766 (Residues: 1-11; Coverage: 5%)
Chymotrypsin A chain B Chain: D
Molecule details ›
Chain: D
Length: 131 amino acids
Theoretical weight: 13.93 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00766 (Residues: 16-146; Coverage: 54%)
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Chymotrypsin A chain C Chain: E
Molecule details ›
Chain: E
Length: 96 amino acids
Theoretical weight: 10 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00766 (Residues: 150-245; Coverage: 39%)
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

5 bound ligands:
Ligand CA 1 x CA
Ligand GOL 6 x GOL
Ligand SO4 9 x SO4
Ligand EDO 6 x EDO
Ligand MRD 2 x MRD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE D03B-MX1
Spacegroup: P1
Unit cell:
a: 49.477Å b: 54.571Å c: 69.286Å
α: 67.28° β: 71.04° γ: 73.55°
R-values:
R R work R free
0.159 0.157 0.192

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