Crystal structure of human secreted phospholipase A2 group iie with me-indoxam

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 7% strand (DSSP).

Ligands and binding sites

• 7W0 · 2-[2-methyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyethanoic acid · ligand · chains A
• CA · Calcium ion · metal · chains A
• CL · Chloride ion · ion · 2 copies · chains A
• GOL · Glycerol · additive · 2 copies · chains A
• DMS · Dimethyl sulfoxide · 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, 1 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

• 5WZV · Crystal structure of human secreted phospholipase A2 group IIE with Me-indoxam · 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 0.96

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 5WZV · PDBe 5WZV · UniProt Q9NZK7