› 3i03

X-ray diffraction
1.48Å resolution

Crystal structure of bothropstoxin-I chemically modified by p-bromophenacyl bromide (BPB) - monomeric form at a high resolution

Released:
DOI: 10.2210/pdb3i03/pdb
PDB entry 3i03 coloured by chain, front view.
PDB entry 3i03 coloured by chain, side view.
PDB entry 3i03 coloured by chain, top view.
Source organism: Bothrops jararacussu
Primary publication:
Comparison between apo and complexed structures of bothropstoxin-I reveals the role of Lys122 and Ca(2+)-binding loop region for the catalytically inactive Lys49-PLA(2)s.
Fernandes CA, Marchi-Salvador DP, Salvador GM, Silva MC, Costa TR, Soares AM, Fontes MR
J Struct Biol 171 31-43 (2010)
PMID: 20371382

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 Chain: A
Molecule details ›
Chain: A
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

2 bound ligands:
Ligand PBP 1 x PBP
Ligand IPA 1 x IPA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE W01B-MX2
Spacegroup: C2221
Unit cell:
a: 56.846Å b: 78.294Å c: 66.615Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.206 0.223

Quick links

Citations

3 review citations

Secreted Phospholipases A₂ from Animal Venoms in Pain and Analgesia.
Zambelli et al. (2017)
2 more

1 mention without citation

PLA2-like proteins myotoxic mechanism: a dynamic model description.
Borges et al. (2017)