Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (bpti) determined to the 1.49 a resolution limit

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 34% strand (DSSP).

Ligands and binding sites

• CA · Calcium ion · metal · chains E
• SO4 · Sulfate ion · ion · 4 copies · chains E, I
• EDO · 1,2-ethanediol · additive · 8 copies · chains E, I
• PG4 · Tetraethylene glycol · additive · chains E

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• E–I · 664 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide (disulfide).

Compared structures

• 3FP6 · Anionic trypsin in complex with bovine pancreatic trypsin inhibitor (BPTI) determined to… · the same entry in another collection · chain E against E, TM-score 1.00
• P00763 · AlphaFold monomer V2.0 prediction for anionic trypsin-2 (P00763) · a predicted model of the same protein · chain E against A, TM-score 1.00
• P00974 · AlphaFold monomer V2.0 prediction for pancreatic trypsin inhibitor (P00974) · a predicted model of the same protein · chain I against A, TM-score 0.98

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 P00763
• Every structure of UniProt P00974
• Elsewhere: RCSB PDB 3FP6 · PDBe 3FP6 · UniProt P00763 · UniProt P00974