Crystal structure of (CIT)LANFLV heptapeptide segment from islet amyloid polypeptide (iapp) incorporated into a macrocyclic beta-sheet template

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 27% strand (DSSP).

Ligands and binding sites

• ORN · L-ornithine · ligand · 4 copies · chains A, B, C, D
• CIR · Citrulline · ligand · 4 copies · chains A, B, C, D
• HAO · {[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo) acetic acid · ligand · 4 copies · chains A, C, B, D
• CL · Chloride ion · ion · chains B

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

Interfaces

6 interfaces between chains.

• C–D · 297 Ų buried · 8 hydrogen bonds · protein-protein
• A–B · 273 Ų buried · 7 hydrogen bonds · protein-protein
• B–D · 195 Ų buried · 0 hydrogen bonds · protein-protein
• A–C · 179 Ų buried · 0 hydrogen bonds · protein-protein
• A–D · 172 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 covalent, 8 modified (covalent ligand, nonstandard).

Compared structures

• 5UHR · Crystal structure of (Cit)LANFLV heptapeptide segment from islet amyloid polypeptide… · the same entry in another collection · chain A against A, 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 5UHR · PDBe 5UHR