Protein induced photophysical changes to the amyloid indicator dye, thioflavin T

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 51% strand (DSSP).

Ligands and binding sites

• TFX · 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium · ligand · 3 copies · chains A, B
• HG · Mercury (II) ion · metal · chains A
• ACT · Acetate ion · additive · 3 copies · chains A, B
• TLA · L(+)-tartaric acid · additive · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 590 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 3MYZ · Protein induced photophysical changes to the amyloid indicator dye, thioflavin T · the same entry in another collection · chain A against A, TM-score 1.00
• P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 P61769
• Elsewhere: RCSB PDB 3MYZ · PDBe 3MYZ · UniProt P61769