› 4hhf

X-ray diffraction
1.8Å resolution

Crystal Structure of chemically synthesized scorpion alpha-toxin OD1

Released:
DOI: 10.2210/pdb4hhf/pdb
PDB entry 4hhf coloured by chain, front view.
PDB entry 4hhf coloured by chain, side view.
PDB entry 4hhf coloured by chain, top view.
Source organism: Odontobuthus doriae
Primary publication:
Chemical engineering and structural and pharmacological characterization of the α-scorpion toxin OD1.
Durek T, Vetter I, Wang CI, Motin L, Knapp O, Adams DJ, Lewis RJ, Alewood PF
ACS Chem Biol 8 1215-22 (2013)
PMID: 23527544

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160899 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alpha-toxin OD1 Chain: A
Molecule details ›
Chain: A
Length: 66 amino acids
Theoretical weight: 7.22 KDa
Source organism: Odontobuthus doriae
Expression system: Not provided
UniProt:
  • Canonical: P84646 (Residues: 1-65; Coverage: 100%)
Sequence domains: Scorpion toxin-like domain
Structure domains: Knottin, scorpion toxin-like

Ligands and Environments

1 bound ligand:
Ligand MPD 3 x MPD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P3121
Unit cell:
a: 48.727Å b: 48.727Å c: 63.245Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.186 0.185 0.202
Expression system: Not provided

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Citations

10 review citations

Spider venomics: implications for drug discovery.
Pineda et al. (2014)
9 more