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Total chemical synthesis, covalent structure verification, and X-ray structure of bioactive TS3 toxin by racemic protein crystallography

Analyse Total chemical synthesis, covalent structure verification, and X-ray structure… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5CY0
Type
protein
Length
63 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TS3 toxin
UniProt
P01496

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATS3 toxinprotein6316% helix, 35% strandP01496

Ligands and binding sites

  • GOL · Glycerol · additive · 3 copies · chains A

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

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5CY0 · Total Chemical Synthesis, Covalent Structure Verification, and X-ray Structure of… · the same entry in another collection · chain A against A, TM-score 1.00
  • P01496 · AlphaFold monomer V2.0 prediction for alpha-mammal toxin TS3 (P01496) · a predicted model of the same protein · chain A against A, TM-score 0.98

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