Protein phosphatase 2A core complex bound to dinophysistoxin-1

Structure

x-ray diffraction · 2 distinct chains · 63% helix, 7% strand (DSSP).

Ligands and binding sites

• XT1 · (2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid · ligand · chains C
• MN · Manganese (II) ion · metal · 2 copies · chains C
• SO4 · Sulfate ion · ion · 3 copies · chains A, C

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

Pockets

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

Interfaces

1 interface between chains.

• A–C · 984 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

• 3K7V · Protein phosphatase 2A core complex bound to dinophysistoxin-1 · the same entry in another collection · chain A against A, TM-score 1.00
• P67775 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A catalytic… · a predicted model of the same protein · chain C against A, TM-score 1.00
• P30153 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A 65 kda… · a predicted model of the same protein · chain A against A, TM-score 0.82

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 P30153
• Every structure of UniProt P67775
• Elsewhere: RCSB PDB 3K7V · PDBe 3K7V · UniProt P30153 · UniProt P67775