› 3het

X-ray diffraction
2.1Å resolution

Cyclic residues in alpha/beta-peptide helix bundles: GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone with a cyclic beta-residue at position 10

Released:
DOI: 10.2210/pdb3het/pdb
PDB entry 3het coloured by chain, front view.
PDB entry 3het coloured by chain, side view.
PDB entry 3het coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Structural consequences of beta-amino acid preorganization in a self-assembling alpha/beta-peptide: fundamental studies of foldameric helix bundles.
Price JL, Horne WS, Gellman SH
J Am Chem Soc 132 12378-87 (2010)
PMID: 20718422

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo octamer
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163624 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
alpha/beta-peptide based on the GCN4-pLI side chain sequence with an (alpha-alpha-beta) backbone and a cyclic beta-residue at position 10 Chains: A, B
Molecule details ›
Chains: A, B
Length: 34 amino acids
Theoretical weight: 4.19 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
7 modified residues:
Ligand HMR 4 x HMR
Ligand B3Q 2 x B3Q
Ligand B3D 2 x B3D
Ligand B3L 4 x B3L
Ligand BIL 2 x BIL
Ligand B3E 2 x B3E
Ligand B3K 2 x B3K

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P4212
Unit cell:
a: 39.108Å b: 39.108Å c: 93.257Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.189 0.234
Expression system: Not provided

Quick links

Citations

4 review citations

α/β-Peptide foldamers: state of the art.
Pilsl et al. (2011)
3 more

1 mention without citation

Structural consequences of beta-amino acid preorganization in a self-assembling alpha/beta-peptide: fundamental studies of foldameric helix bundles.
Price et al. (2010)