› 1le1

Solution NMR

NMR Structure of Tryptophan Zipper 2: A stable, Monomeric Beta-Hairpin with a Type I' Turn

Released:
DOI: 10.2210/pdb1le1/pdb
PDB entry 1le1 coloured by chain, ensemble of 20 models, front view.
PDB entry 1le1 coloured by chain, ensemble of 20 models, side view.
PDB entry 1le1 coloured by chain, ensemble of 20 models, top view.
Source organism: Synthetic construct
Primary publication:
Tryptophan zippers: stable, monomeric beta -hairpins.
Cochran AG, Skelton NJ, Starovasnik MA
Proc Natl Acad Sci U S A 98 5578-83 (2001)
PMID: 11331745

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-162296 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tryptophan Zipper 2 Chain: A
Molecule details ›
Chain: A
Length: 13 amino acids
Theoretical weight: 1.61 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: Hybrid distance geometry/simulated annealing using the program DGII, followed by molecular dynamics using the program AMBER, in conjunction not only with distance and dihedral angle restraints, but also 1H chemical shift-based restraints.
Expression system: Not provided

Quick links

Citations

28 review citations

Azobenzene photoswitches for biomolecules.
Beharry et al. (2011)
27 more

42 mentions without citation

Balancing solvation and intramolecular interactions: toward a consistent generalized Born force field.
Chen et al. (2006)
41 more