› 6vy8

Solution NMR

NMR solution structure of a triazole bridged trypsin inhibitor based on the framework of SFTI-1

Released:
DOI: 10.2210/pdb6vy8/pdb
PDB entry 6vy8 coloured by chain, ensemble of 20 models, front view.
PDB entry 6vy8 coloured by chain, ensemble of 20 models, side view.
PDB entry 6vy8 coloured by chain, ensemble of 20 models, top view.
Source organism: Helianthus annuus
Primary publication:
Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
White AM, de Veer SJ, Wu G, Harvey PJ, Yap K, King GJ, Swedberg JE, Wang CK, Law RHP, Durek T, Craik DJ
Angew Chem Int Ed Engl 59 11273-11277 (2020)
PMID: 32270580

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175541 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Trypsin inhibitor 1 Chain: A
Molecule details ›
Chain: A
Length: 14 amino acids
Theoretical weight: 1.54 KDa
Source organism: Helianthus annuus
Expression system: Not provided
UniProt:
  • Canonical: Q4GWU5 (Residues: 40-53; Coverage: 45%)
Gene name: sfti1

Ligands and Environments

No bound ligands
1 modified residue:
Ligand RVJ 1 x RVJ

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 80%
Refinement method: simulated annealing
Expression system: Not provided

Quick links

Citations

2 review citations

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