Crystal structure of human lipoprotein-associated phospholipase A2 in complex with a [1.1.1]BICYCLOPENTANE-containing inhibitor at 1.91A resolution.

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).

Ligands and binding sites

• 71H · ~{N}-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl) methylsulfanyl]-4-oxidanylidene-5~{H}-cyclopenta[d]pyrimidin-1-yl]-~{N}-[[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]methyl]ethanamide · ligand · chains A
• CL · Chloride ion · ion · 2 copies · chains A

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

Pockets

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

Compared structures

• 5LP1 · Crystal structure of human lipoprotein-associated phospholipase A2 in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
• Q13093 · AlphaFold monomer V2.0 prediction for platelet-activating factor acetylhydrolase (Q13093) · a predicted model of the same protein · chain A against A, TM-score 1.00

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 Q13093
• Elsewhere: RCSB PDB 5LP1 · PDBe 5LP1 · UniProt Q13093