Crystal structure of textilinin-1, a kunitz-type serine protease inhibitor from the australian common brown snake venom

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 26% strand (DSSP).

Ligands and binding sites

• ETX · 2-ethoxyethanol · ligand · 2 copies · chains A, C
• SO4 · Sulfate ion · ion · chains A

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

3 interfaces between chains.

• A–C · 670 Ų buried · 10 hydrogen bonds · protein-protein
• A–B · 249 Ų buried · 4 hydrogen bonds · protein-protein
• B–C · 218 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

• 3BYB · Crystal structure of Textilinin-1, a Kunitz-type serine protease inhibitor from the… · the same entry in another collection · chain A against A, TM-score 1.00
• Q90WA1 · AlphaFold monomer V2.0 prediction for kunitz-type serine protease inhibitor textilinin-1… · a predicted model of the same protein · chain B against A, TM-score 0.97

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 Q90WA1
• Elsewhere: RCSB PDB 3BYB · PDBe 3BYB · UniProt Q90WA1