› 1mf4

X-ray diffraction
1.9Å resolution

Structure-based design of potent and selective inhibitors of phospholipase A2: Crystal structure of the complex formed between phosholipase A2 from Naja Naja sagittifera and a designed peptide inhibitor at 1.9 A resolution

Released:
DOI: 10.2210/pdb1mf4/pdb
PDB entry 1mf4 coloured by chain, front view.
PDB entry 1mf4 coloured by chain, side view.
PDB entry 1mf4 coloured by chain, top view.
Source organism: Naja sagittifera
Primary publication:
Design of specific peptide inhibitors for group I phospholipase A2: structure of a complex formed between phospholipase A2 from Naja naja sagittifera (group I) and a designed peptide inhibitor Val-Ala-Phe-Arg-Ser (VAFRS) at 1.9 A resolution reveals unique features.
Singh RK, Vikram P, Makker J, Jabeen T, Sharma S, Dey S, Kaur P, Srinivasan A, Singh TP
Biochemistry 42 11701-6 (2003)
PMID: 14529280

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

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157965 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Acidic phospholipase A2 3 Chain: A
Molecule details ›
Chain: A
Length: 119 amino acids
Theoretical weight: 13.13 KDa
Source organism: Naja sagittifera
UniProt:
  • Canonical: P60045 (Residues: 8-126; Coverage: 94%)
Sequence domains: Phospholipase A2
Structure domains: Phospholipase A2 domain
VAL-ALA-PHE-ARG-SER Chain: B
Molecule details ›
Chain: B
Length: 5 amino acids
Theoretical weight: 580 Da
Source organism: Naja sagittifera
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P41
Unit cell:
a: 42.779Å b: 42.779Å c: 65.866Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.182 0.239
Expression system: Not provided

Quick links

Citations

1 review citation

Venom neutralization by purified bioactive molecules: Synthetic peptide derivatives of the endogenous PLA(2) inhibitory protein PIP (a mini-review).
Thwin et al. (2010)
8 other articles

2 mentions without citation

Expression, functional, and structural analysis of proteins critical for otoconia development.
Xu et al. (2010)
1 more