X-ray crystal structure of a complex formed between two homologous isoforms of phospholipase A2 from naja naja sagittifera: principle of molecular association and inactivation

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 9% strand (DSSP).

Ligands and binding sites

• CA · Calcium ion · metal · 2 copies · chains A, B
• PO4 · Phosphate ion · ion · 2 copies · chains A, B
• ACY · Acetic acid · additive · 2 copies · chains B

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1054 Ų buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

• 1S6B · X-ray Crystal Structure of a Complex Formed Between Two Homologous Isoforms of… · the same entry in another collection · chain A against A, TM-score 1.00
• P60043 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 1 (P60043) · a predicted model of the same protein · chain A against A, TM-score 0.98
• P60044 · AlphaFold monomer V2.0 prediction for acidic phospholipase A2 2 (P60044) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 P60043
• Every structure of UniProt P60044
• Elsewhere: RCSB PDB 1S6B · PDBe 1S6B · UniProt P60043 · UniProt P60044