› 1jq8

X-ray diffraction
2Å resolution

Design of specific inhibitors of phospholipase A2: Crystal structure of a complex formed between phospholipase A2 from Daboia russelli pulchella and a designed pentapeptide Leu-Ala-Ile-Tyr-Ser at 2.0 resolution

Released:
DOI: 10.2210/pdb1jq8/pdb
PDB entry 1jq8 coloured by chain, front view.
PDB entry 1jq8 coloured by chain, side view.
PDB entry 1jq8 coloured by chain, top view.
Source organism: Daboia russelii pulchella
Primary publication:
Design of specific peptide inhibitors of phospholipase A2: structure of a complex formed between Russell's viper phospholipase A2 and a designed peptide Leu-Ala-Ile-Tyr-Ser (LAIYS).
Chandra V, Jasti J, Kaur P, Dey S, Srinivasan A, Betzel Ch, Singh TP
Acta Crystallogr D Biol Crystallogr 58 1813-9 (2002)
PMID: 12351825

Function and Biology Details

Reaction catalysed: 
Phosphatidylcholine + H(2)O = 1-acylglycerophosphocholine + a carboxylate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assemblies composition:
hetero dimer (preferred)
monomeric
Assembly name:
PDBe Complex ID:
PDB-CPX-157748 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Basic phospholipase A2 VRV-PL-VIIIa Chains: A, B
Molecule details ›
Chains: A, B
Length: 121 amino acids
Theoretical weight: 13.63 KDa
Source organism: Daboia russelii pulchella
UniProt:
  • Canonical: P59071 (Residues: 1-121; Coverage: 100%)
Sequence domains: Phospholipase A2
Structure domains: Phospholipase A2 domain
Peptide inhibitor Chain: P
Molecule details ›
Chain: P
Length: 5 amino acids
Theoretical weight: 566 Da
Source organism: Daboia russelii pulchella
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand SO4 1 x SO4
Ligand ACY 3 x ACY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: C2221
Unit cell:
a: 76.825Å b: 90.375Å c: 77.59Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.187 0.198
Expression system: Not provided

Quick links

Citations

1 review citation

Enzymatic toxins from snake venom: structural characterization and mechanism of catalysis.
Kang et al. (2011)
12 other articles

4 mentions without citation

Detect, correct, retract: How to manage incorrect structural models.
Wlodawer et al. (2018)
3 more