› 3m7q

X-ray diffraction
1.7Å resolution

Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean sea anemone stichodactyla helianthus in complex with bovine pancreatic trypsin

Released:
DOI: 10.2210/pdb3m7q/pdb
PDB entry 3m7q coloured by chain, front view.
PDB entry 3m7q coloured by chain, side view.
PDB entry 3m7q coloured by chain, top view.
Source organisms:
Primary publication:
Structural insights into serine protease inhibition by a marine invertebrate BPTI Kunitz-type inhibitor.
García-Fernández R, Pons T, Perbandt M, Valiente PA, Talavera A, González-González Y, Rehders D, Chávez MA, Betzel C, Redecke L
J Struct Biol 180 271-9 (2012)
PMID: 22975140

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133334 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine protease 1 Chain: A
Molecule details ›
Chain: A
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
PI-stichotoxin-She2a Chain: B
Molecule details ›
Chain: B
Length: 61 amino acids
Theoretical weight: 6.7 KDa
Source organism: Stichodactyla helianthus
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P31713 (Residues: 1-55; Coverage: 100%)
Sequence domains: Kunitz/Bovine pancreatic trypsin inhibitor domain
Structure domains: Pancreatic trypsin inhibitor Kunitz domain

Ligands and Environments

1 bound ligand:
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X13
Spacegroup: P212121
Unit cell:
a: 58.279Å b: 66.551Å c: 70.937Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.158 0.188
Expression system: Komagataella pastoris

Quick links

Citations

5 citation in other articles

Effects of a marine serine protease inhibitor on viability and morphology of Trypanosoma cruzi, the agent of Chagas disease.
de Almeida Nogueira et al. (2013)
4 more

8 mentions without citation

Protease inhibitors from marine venomous animals and their counterparts in terrestrial venomous animals.
Mourão et al. (2013)
7 more