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High resolution structure of a potent, cyclic protease inhibitor from sunflower seeds

Analyse High resolution structure of a potent, cyclic protease inhibitor from sunflower… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1SFI
Type
protein
Length
237 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trypsin; Trypsin inhibitor 1
EC
3.4.21.4
UniProt
P00760
Ligands
CA, SO4

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrypsin (EC 3.4.21.4)protein22311% helix, 36% strandP00760
ITrypsin inhibitor 1protein140% helix, 29% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A

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

Interfaces

1 interface between chains.

  • A–I · 703 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 1SFI · High resolution structure of a potent, cyclic protease inhibitor from sunflower seeds · the same entry in another collection · chain A against A, TM-score 1.00

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