› 6u7w

Solution NMR

NMR solution structure of a triazole bridged KLK7 inhibitor

Released:
DOI: 10.2210/pdb6u7w/pdb
PDB entry 6u7w coloured by chain, ensemble of 20 models, front view.
PDB entry 6u7w coloured by chain, ensemble of 20 models, side view.
PDB entry 6u7w 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-167551 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
GLY-LYS-ALA-LEU-PHE-SER-ASN-PRO-PRO-ILE-ALA-PHE-PRO-ASN Chain: A
Molecule details ›
Chain: A
Length: 14 amino acids
Theoretical weight: 1.47 KDa
Source organism: Helianthus annuus
Expression system: Not provided

Ligands and Environments

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

Experiments and Validation Details

wwPDB Validation report is not available for this NMR entry.
Chemical shift assignment: 81%
Refinement method: simulated annealing
Expression system: Not provided

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Citations

2 review citations

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