Inhibition of phospholipase A2 (PLA2) by (2-carbamoylmethyl-5-propyl- octahydro-indol-7-yl)-acetic acid (indole): crystal structure of the complex formed between PLA2 from RUSSELL'S viper and indole at 1.8 resolution

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 8% strand (DSSP).

Ligands and binding sites

• IDA · (2-carbamoylmethyl-5-propyl-octahydro-indol-7-yl)acetic acid · ligand · chains A
• CO3 · Carbonate ion · ion · 2 copies · chains B, A
• SO4 · Sulfate ion · ion · chains B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 656 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

• 1OXL · Inhibition of phospholipase A2 (PLA2) by (2-carbamoylmethyl-5-propyl-octahydro-indol-7-yl)… · 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 1OXL · PDBe 1OXL · UniProt P59071