Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor dehydro-ile-ala-arg-ser at 0.98 a resolution

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 6% strand (DSSP).

Ligands and binding sites

• PHQ · benzyl chlorocarbonate · ligand · chains A, B
• SO4 · Sulfate ion · ion · 3 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

1 interface between chains.

• A–B · 444 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

• 2G58 · Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
• P59071 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 vrv-pl- viiia (P59071) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P59071
• Elsewhere: RCSB PDB 2G58 · PDBe 2G58 · UniProt P59071