› 3heu

X-ray diffraction
2Å 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 13

Released:
DOI: 10.2210/pdb3heu/pdb
PDB entry 3heu coloured by chain, front view.
PDB entry 3heu coloured by chain, side view.
PDB entry 3heu 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

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163626 (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 13 Chain: A
Molecule details ›
Chain: A
Length: 34 amino acids
Theoretical weight: 4.21 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand 2PE 2 x 2PE
7 modified residues:
Ligand HMR 2 x HMR
Ligand B3Q 1 x B3Q
Ligand B3D 1 x B3D
Ligand B3E 2 x B3E
Ligand B3L 1 x B3L
Ligand BIL 1 x BIL
Ligand B3K 1 x B3K

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P4212
Unit cell:
a: 36.764Å b: 36.764Å c: 47.054Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.201 0.245
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)