Crystal structure of the complex formed between russells viper phospholipase A2 and a designed peptide inhibitor phq-leu-val-arg-tyr at 1.2A resolution

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 8% strand (DSSP).

Ligands and binding sites

• PHQ · benzyl chlorocarbonate · ligand · chains C
• SO4 · Sulfate ion · ion · 3 copies · chains A
• MOH · Methanol · additive · 2 copies · chains A
• ACY · Acetic acid · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–C · 514 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

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

Compared structures

• 1TG1 · Crystal Structure of the complex formed between russells viper phospholipase A2 and a… · 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 1TG1 · PDBe 1TG1 · UniProt P59071