Crystal structure of thyroxine-binding globulin complexed with thyroxine-fluoresein (T405-cf)

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 39% strand (DSSP).

Ligands and binding sites

• T44 · 3,5,3',5'-tetraiodo-L-thyronine · ligand · chains A, B
• F6Z · 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid · ligand · chains A, B
• CA · Calcium ion · metal · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 2522 Ų buried · 36 hydrogen bonds · protein-protein

Compared structures

• 2XN7 · Crystal structure of thyroxine-binding globulin complexed with thyroxine-fluoresein… · the same entry in another collection · chain B against B, TM-score 1.00
• P05543 · AlphaFold monomer V2.0 prediction for thyroxine-binding globulin (P05543) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 P05543
• Elsewhere: RCSB PDB 2XN7 · PDBe 2XN7 · UniProt P05543