Transthyretin in complex with (E)-5,5'-(ethene-1,2-DIYL)BIS(1,1- dihydroxy-3-oxo-1,3-DIHYDROBENZO[C][1,2]OXABOROL-1-uide)

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 53% strand (DSSP).

Ligands and binding sites

• S2B · 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one · ligand · 2 copies · 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, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 949 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

• 6U0Q · Transthyretin in complex with (E)-5,5'-(ethene-1,2-diyl)bis(1,1-dihydroxy-3-oxo-1,3-dihydr… · 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
• Every structure of UniProt P02766
• Elsewhere: RCSB PDB 6U0Q · PDBe 6U0Q · UniProt P02766