X-ray crystallographic structure of an a-beta 17_36 beta-hairpin. synchrotron data set. (LVFFAEDCGSNKCAII(SAR)LMV).

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 71% strand (DSSP).

Ligands and binding sites

• JEF · O-(O-(2-aminopropyl)-O'-(2-methoxyethyl)polypropylene glycol 500) · ligand · chains A, B, C, D, E, F

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

Interfaces

10 interfaces between chains.

• B–C · 268 Ų buried · 5 hydrogen bonds · protein-protein
• E–F · 264 Ų buried · 4 hydrogen bonds · protein-protein
• D–F · 264 Ų buried · 3 hydrogen bonds · protein-protein
• A–C · 254 Ų buried · 6 hydrogen bonds · protein-protein
• A–B · 253 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified, 3 disulfide (methylation, nonstandard, disulfide).

Compared structures

• 5HOX · X-ray crystallographic structure of an A-beta 17_36 beta-hairpin. Synchrotron data set.… · the same entry in another collection · chain F against F, TM-score 1.00
• P05067 · AlphaFold monomer V2.0 prediction for amyloid-beta precursor protein (P05067) · a predicted model of the same protein · chain A against A, TM-score 0.33

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 P05067
• Elsewhere: RCSB PDB 5HOX · PDBe 5HOX · UniProt P05067