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Structure of an excitatory insect-specific toxin with an analgesic effect on mammalian from scorpion buthus martensii karsch

Analyse Structure of an excitatory insect-specific toxin with an analgesic effect on… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1T0Z
Type
protein
Length
144 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Insect neurotoxin
UniProt
O77091
Ligands
SO4
Pockets
2 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BInsect neurotoxinprotein7228% helix, 29% strandO77091

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 11 copies · chains A, B

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1930.370.7520empty
2790.350.7515empty

Interfaces

1 interface between chains.

  • A–B · 286 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 1T0Z · Structure of an Excitatory Insect-specific Toxin with an Analgesic Effect on Mammalian… · the same entry in another collection · chain A against A, TM-score 1.00
  • O77091 · AlphaFold monomer V2.0 prediction for beta-insect excitatory toxin bmk it-ap (O77091) · a predicted model of the same protein · chain A against A, TM-score 0.94

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