Crystal structure of human secreted phospholipase A2 group iie with LY311727

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 8% strand (DSSP).

Ligands and binding sites

• U8D · (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid · ligand · chains A
• CA · Calcium ion · metal · chains A
• CL · Chloride ion · ion · 7 copies · chains A
• GOL · Glycerol · additive · 2 copies · 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, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

• 5WZW · Crystal structure of human secreted phospholipase A2 group IIE with LY311727 · the same entry in another collection · chain A against A, TM-score 1.00
• Q9NZK7 · AlphaFold monomer V2.0 prediction for group iie secretory phospholipase A2 (Q9NZK7) · 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 Q9NZK7
• Elsewhere: RCSB PDB 5WZW · PDBe 5WZW · UniProt Q9NZK7