Cytochrome C co-crystallized with 10 eq. sulfonato-CALIX[8]ARENE and 25 eq. spermine (dry-coating method) - structure III

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 2% strand (DSSP).

Ligands and binding sites

• SPM · Spermine · ligand · 8 copies · chains A, B
• EVB · sulfonato-calix[8]arene · ligand · 6 copies · chains A, B
• HEC · Heme C · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 4 copies

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 28 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor (heme c attachment).

Compared structures

• 6RSL · Cytochrome c co-crystallized with 10 eq. sulfonato-calix[8]arene and 25 eq. spermine… · the same entry in another collection · chain A against A, TM-score 1.00
• P00044 · AlphaFold monomer V2.0 prediction for cytochrome C isoform 1 (P00044) · a predicted model of the same protein · chain B against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P00044
• Elsewhere: RCSB PDB 6RSL · PDBe 6RSL · UniProt P00044