Structure of PP5C with lb-100; 7-OXABICYCLO[2.2.1]HEPTANE-2,3- dicarbonyl moiety modeled in the density

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 21% strand (DSSP).

Ligands and binding sites

• LB1 · (1S,2R,3S,4R)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid · ligand · chains A
• MN · Manganese (II) ion · metal · 2 copies · chains A
• MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
• MRD · (4R)-2-methylpentane-2,4-diol · 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.

Compared structures

• 5WG8 · Structure of PP5C with LB-100; 7-oxabicyclo[2.2.1]heptane-2,3-dicarbonyl moiety modeled… · the same entry in another collection · chain A against A, TM-score 1.00
• P53041 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 5 (P53041) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P53041
• Elsewhere: RCSB PDB 5WG8 · PDBe 5WG8 · UniProt P53041