› 6dik

X-ray diffraction
1.93Å resolution

Crystal structure of Bothropstoxin I (BthTX-I) complexed to Chicoric acid

Released:
DOI: 10.2210/pdb6dik/pdb
PDB entry 6dik coloured by chain, front view.
PDB entry 6dik coloured by chain, side view.
PDB entry 6dik coloured by chain, top view.
Source organism: Bothrops jararacussu
Primary publication:
Structural basis of phospholipase A2-like myotoxin inhibition by chicoric acid, a novel potent inhibitor of ophidian toxins.
Cardoso FF, Borges RJ, Dreyer TR, Salvador GHM, Cavalcante WLG, Pai MD, Gallacci M, Fontes MRM
Biochim Biophys Acta Gen Subj 1862 2728-2737 (2018)
PMID: 30251662

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187442 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Basic phospholipase A2 homolog bothropstoxin-I Chains: A, B
Molecule details ›
Chains: A, B
Length: 121 amino acids
Theoretical weight: 13.75 KDa
Source organism: Bothrops jararacussu
UniProt:
  • Canonical: Q90249 (Residues: 17-137; Coverage: 100%)
Sequence domains: Phospholipase A2
Structure domains: Phospholipase A2 domain

Ligands and Environments

4 bound ligands:
Ligand GKP 1 x GKP
Ligand SO4 5 x SO4
Ligand BCT 1 x BCT
Ligand EOH 1 x EOH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE W01B-MX2
Spacegroup: P21
Unit cell:
a: 39.558Å b: 71.632Å c: 44.791Å
α: 90° β: 109.02° γ: 90°
R-values:
R R work R free
0.166 0.165 0.2

Quick links

Citations

4 citation in other articles

Search for efficient inhibitors of myotoxic activity induced by ophidian phospholipase A2-like proteins using functional, structural and bioinformatics approaches.
Salvador et al. (2019)
3 more

2 mentions without citation

Structural basis for phospholipase A2-like toxin inhibition by the synthetic compound Varespladib (LY315920).
Salvador et al. (2019)
1 more