› 6f1f

X-ray diffraction
1.72Å resolution

The methylene thioacetal BPTI (Bovine Pancreatic Trypsin Inhibitor) mutant structure

Released:
DOI: 10.2210/pdb6f1f/pdb
PDB entry 6f1f coloured by chain, front view.
PDB entry 6f1f coloured by chain, side view.
PDB entry 6f1f coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
BPTI folding revisited: switching a disulfide into methylene thioacetal reveals a previously hidden path.
Mousa R, Lansky S, Shoham G, Metanis N
OpenAccess logo Chem Sci 9 4814-4820 (2018)
PMID: 29910933

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo decamer
Assembly name:
PDBe Complex ID:
PDB-CPX-133749 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pancreatic trypsin inhibitor Chains: A, B, C, D, E
Molecule details ›
Chains: A, B, C, D, E
Length: 58 amino acids
Theoretical weight: 6.54 KDa
Source organism: Bos taurus
Expression system: Not provided
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

2 bound ligands:
Ligand SO4 23 x SO4
Ligand GOL 4 x GOL
1 modified residue:
Ligand SMC 5 x SMC

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P6422
Unit cell:
a: 95.51Å b: 95.51Å c: 157.13Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.189 0.207
Expression system: Not provided

Quick links

Citations

3 review citations

Macrocyclization strategies for cyclic peptides and peptidomimetics.
Bechtler et al. (2021)
2 more

1 mention without citation

BPTI folding revisited: switching a disulfide into methylene thioacetal reveals a previously hidden path.
Mousa et al. (2018)