› 1skg

X-ray diffraction
1.21Å resolution

Structure-based rational drug design: Crystal structure of the complex formed between Phospholipase A2 and a pentapeptide Val-Ala-Phe-Arg-Ser

Released:
DOI: 10.2210/pdb1skg/pdb
PDB entry 1skg coloured by chain, front view.
PDB entry 1skg coloured by chain, side view.
PDB entry 1skg coloured by chain, top view.
Source organism: Daboia russelii pulchella
Entry authors: Ethayathulla AS, Singh N, Sharma S, Makker J, Dey S, Perbandt M, Betzel C, Singh TP

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-157751 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Basic phospholipase A2 VRV-PL-VIIIa Chain: A
Molecule details ›
Chain: A
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
VAFRS Chain: B
Molecule details ›
Chain: B
Length: 5 amino acids
Theoretical weight: 580 Da
Source organism: Daboia russelii pulchella
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand SO4 4 x SO4
Ligand MOH 2 x MOH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: P43
Unit cell:
a: 52.35Å b: 52.35Å c: 47.828Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.146 0.141 0.183
Expression system: Not provided

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