An ALPHA/BETA-peptide helix bundle with a pure beta-amino acid core and a distinctive quarternary structure: GCN4PLI derivative with beta residues at a and D heptad positions - higher symmetry crystal

Structure

x-ray diffraction · 1 distinct chain · 91% helix, 0% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 4 copies · chains A, B, C, D
• IOD · Iodide ion · ion · 9 copies · chains A, B, D, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

4 interfaces between chains.

• A–B · 954 Ų buried · 8 hydrogen bonds · protein-protein
• C–D · 947 Ų buried · 6 hydrogen bonds · protein-protein
• B–D · 297 Ų buried · 9 hydrogen bonds · protein-protein
• A–D · 49 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 40 modified, 4 covalent (nonstandard, covalent ligand).

Compared structures

• 3F87 · An alpha/beta-Peptide Helix Bundle with a Pure beta-Amino Acid Core and a Distinctive… · the same entry in another collection · chain D against D, TM-score 0.90

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Elsewhere: RCSB PDB 3F87 · PDBe 3F87