› 2do2

X-ray diffraction
2.6Å resolution

Design of specific inhibitors of phospholipase A2: Crystal structure of the complex formed between a group II Cys 49 phospholipase A2 and a designed pentapeptide Ala-Leu-Ala-Ser-Lys at 2.6A resolution

Released:
DOI: 10.2210/pdb2do2/pdb
PDB entry 2do2 coloured by chain, front view.
PDB entry 2do2 coloured by chain, side view.
PDB entry 2do2 coloured by chain, top view.
Source organism: Daboia russelii pulchella
Entry authors: Singh N, Sharma S, Somvanshi RK, Dey S, 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 analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157759 (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: 13.49 KDa
Source organism: Daboia russelii pulchella
UniProt:
  • Canonical: P59071 (Residues: 1-121; Coverage: 100%)
Sequence domains: Phospholipase A2
Structure domains: Phospholipase A2 domain
Ala-Leu-Ala-Ser-Lys Chain: P
Molecule details ›
Chain: P
Length: 5 amino acids
Theoretical weight: 490 Da
Source organism: Daboia russelii pulchella
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P43
Unit cell:
a: 53.12Å b: 53.12Å c: 48.46Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.159 0.192
Expression system: Not provided

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