› 7jr1

X-ray diffraction
2.05Å resolution

Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin

Released:
DOI: 10.2210/pdb7jr1/pdb
PDB entry 7jr1 coloured by chain, front view.
PDB entry 7jr1 coloured by chain, side view.
PDB entry 7jr1 coloured by chain, top view.
Source organisms:
Primary publication:
Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Li M, Srp J, Mareš M, Wlodawer A, Gustchina A
Acta Crystallogr D Struct Biol 77 1084-1098 (2021)
PMID: 34342281

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-133338 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine protease 1 Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
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
Kunitz-type serine protease inhibitor BbKI Chains: G, H, I, J, K, L
Molecule details ›
Chains: G, H, I, J, K, L
Length: 164 amino acids
Theoretical weight: 17.89 KDa
Source organism: Bauhinia bauhinioides
Expression system: Escherichia coli
UniProt:
  • Canonical: P83052 (Residues: 1-162; Coverage: 99%)
Sequence domains: Trypsin and protease inhibitor

Ligands and Environments

2 bound ligands:
Ligand SO4 16 x SO4
Ligand NA 4 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P64
Unit cell:
a: 207.063Å b: 207.063Å c: 107.23Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.172 0.22
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Between Protein Fold and Nucleophile Identity: Multiscale Modeling of the TEV Protease Enzyme-Substrate Complex.
Zlobin et al. (2022)

1 mention without citation

Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Li et al. (2021)