Crystal structure of a cc-hex mutant that forms a parallel six-helix coiled coil cc-hex*-L24NLE

Structure

x-ray diffraction · 2 distinct chains · 92% helix, 0% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 12 copies · chains A, F, G, B, L, C, J, K, D, E, H, I
• GOL · Glycerol · additive · 11 copies · chains A, B, C, D, E, F, H, I, J, G, K, L
• DIO · 1,4-diethylene dioxide · additive · chains G

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

Pockets

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

Interfaces

40 interfaces between chains.

• G–L · 732 Ų buried · 2 hydrogen bonds · protein-protein
• A–B · 723 Ų buried · 2 hydrogen bonds · protein-protein
• H–I · 722 Ų buried · 2 hydrogen bonds · protein-protein
• A–F · 721 Ų buried · 2 hydrogen bonds · protein-protein
• I–J · 721 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 12 covalent, 12 modified (covalent ligand, nonstandard).

Compared structures

• 6Q5N · Crystal structure of a CC-Hex mutant that forms a parallel six-helix coiled coil… · the same entry in another collection · chain J against J, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Elsewhere: RCSB PDB 6Q5N · PDBe 6Q5N