› 5jb4

X-ray diffraction
1.99Å resolution

A simplified BPTI variant containing 21 alanines out 58 of residues

Released:
DOI: 10.2210/pdb5jb4/pdb
PDB entry 5jb4 coloured by chain, front view.
PDB entry 5jb4 coloured by chain, side view.
PDB entry 5jb4 coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Crystal structures of highly simplified BPTIs provide insights into hydration-driven increase of unfolding enthalpy.
Islam MM, Yohda M, Kidokoro SI, Kuroda Y
Sci Rep 7 41205 (2017)
PMID: 28266637

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133749 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pancreatic trypsin inhibitor Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 58 amino acids
Theoretical weight: 5.84 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00974 (Residues: 36-93; Coverage: 73%)
Sequence domains: Kunitz/Bovine pancreatic trypsin inhibitor domain
Structure domains: Pancreatic trypsin inhibitor Kunitz domain

Ligands and Environments

1 bound ligand:
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: C2221
Unit cell:
a: 61.042Å b: 99.335Å c: 61.855Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.167 0.216
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Thermodynamic Analysis of Point Mutations Inhibiting High-Temperature Reversible Oligomerization of PDZ3.
Saotome et al. (2020)

1 mention without citation

Corrigendum: Crystal structures of highly simplified BPTIs provide insights into hydration-driven increase of unfolding enthalpy.
Monirul Islam et al. (2017)