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

Structure

x-ray diffraction · 2 distinct chains · 91% helix, 0% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 7 copies · chains A, D, B, C, E, H, F

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

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

15 interfaces between chains.

• A–B · 957 Ų buried · 6 hydrogen bonds · protein-protein
• C–D · 943 Ų buried · 6 hydrogen bonds · protein-protein
• E–F · 939 Ų buried · 6 hydrogen bonds · protein-protein
• G–H · 937 Ų buried · 4 hydrogen bonds · protein-protein
• A–D · 620 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 79 modified, 7 covalent (nonstandard, covalent ligand).

Compared structures

• 3F86 · An alpha/beta-Peptide Helix Bundle with a Pure beta-Amino Acid Core and a Distinctive… · the same entry in another collection · chain F against F, TM-score 0.91

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Elsewhere: RCSB PDB 3F86 · PDBe 3F86