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Crystal structure of tick anticoagulant protein complexed with bovine pancreatic trypsin inhibitor

Analyse Crystal structure of tick anticoagulant protein complexed with bovine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1D0D
Type
protein
Length
118 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anticoagulant protein; Pancreatic trypsin inhibitor
UniProt
P17726, P00974
Ligands
SO4

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAnticoagulant proteinprotein6023% helix, 20% strandP17726
BPancreatic trypsin inhibitorprotein5821% helix, 26% strandP00974

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains B

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

Interfaces

1 interface between chains.

  • A–B · 41 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1D0D · Crystal structure of tick anticoagulant protein complexed with bovine pancreatic trypsin… · the same entry in another collection · chain A 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 B against A, TM-score 0.98
  • P17726 · AlphaFold monomer V2.0 prediction for tick anticoagulant peptide (P17726) · a predicted model of the same protein · chain A against A, TM-score 0.67

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