› 3qnl

X-ray diffraction
1.77Å resolution

Crystal structure of PrTX-I complexed to Rosmarinic Acid

Released:
DOI: 10.2210/pdb3qnl/pdb
PDB entry 3qnl coloured by chain, front view.
PDB entry 3qnl coloured by chain, side view.
PDB entry 3qnl coloured by chain, top view.
Source organism: Bothrops pirajai
Primary publication:
Structural and functional studies of a bothropic myotoxin complexed to rosmarinic acid: new insights into Lys49-PLA₂ inhibition.
Dos Santos JI, Cardoso FF, Soares AM, Dal Pai Silva M, Gallacci M, Fontes MR
PLoS One 6 e28521 (2011)
PMID: 22205953

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-157678 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Basic phospholipase A2 homolog piratoxin-1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 121 amino acids
Theoretical weight: 13.75 KDa
Source organism: Bothrops pirajai
UniProt:
  • Canonical: P58399 (Residues: 1-121; Coverage: 100%)
Sequence domains: Phospholipase A2
Structure domains: Phospholipase A2 domain

Ligands and Environments

3 bound ligands:
Ligand IPA 8 x IPA
Ligand ROA 1 x ROA
Ligand P33 1 x P33
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE W01B-MX2
Spacegroup: P212121
Unit cell:
a: 49.418Å b: 67.031Å c: 85.498Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.158 0.218

Quick links

Citations

3 review citations

Neurotoxicity in snakebite--the limits of our knowledge.
Ranawaka et al. (2013)
2 more

6 mentions without citation

Structural and functional studies of a bothropic myotoxin complexed to rosmarinic acid: new insights into Lys49-PLA₂ inhibition.
Dos Santos et al. (2011)
5 more