› 2h8i

X-ray diffraction
1.9Å resolution

Crystal Structure of the Bothropstoxin-I complexed with polyethylene glycol

Released:
DOI: 10.2210/pdb2h8i/pdb
PDB entry 2h8i coloured by chain, front view.
PDB entry 2h8i coloured by chain, side view.
PDB entry 2h8i coloured by chain, top view.
Source organism: Bothrops jararacussu
Primary publication:
Interfacial surface charge and free accessibility to the PLA2-active site-like region are essential requirements for the activity of Lys49 PLA2 homologues.
Murakami MT, Viçoti MM, Abrego JR, Lourenzoni MR, Cintra AC, Arruda EZ, Tomaz MA, Melo PA, Arni RK
Toxicon 49 378-87 (2007)
PMID: 17157889

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

1 bound ligand:
Ligand PEG 2 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE D03B-MX1
Spacegroup: P3121
Unit cell:
a: 56.019Å b: 56.019Å c: 127.568Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.262 0.225 0.277

Quick links

Citations

1 review citation

Computational Studies of Snake Venom Toxins.
Ojeda et al. (2017)
24 other articles

2 mentions without citation

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