Highly potent and selective plasmin inhibitors based on the sunflower trypsin inhibitor-1 scaffold attenuate fibrinolysis in plasma

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 36% strand (DSSP).

Ligands and binding sites

• SO4 · Sulfate ion · ion · chains A
• GOL · Glycerol · additive · 2 copies · chains A, C

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–C · 606 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

• 6D3Y · Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1… · the same entry in another collection · chain A against A, TM-score 1.00
• P00747 · AlphaFold monomer V2.0 prediction for plasminogen (P00747) · a predicted model of the same protein · chain A against A, TM-score 0.98
• Q4GWU5 · AlphaFold monomer V2.0 prediction for trypsin inhibitor 1 (Q4GWU5) · a predicted model of the same protein · chain C against A, TM-score 0.38

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 P00747
• Every structure of UniProt Q4GWU5
• Elsewhere: RCSB PDB 6D3Y · PDBe 6D3Y · UniProt P00747 · UniProt Q4GWU5