› 5wg8

X-ray diffraction
1.65Å resolution

Structure of PP5C with LB-100; 7-oxabicyclo[2.2.1]heptane-2,3-dicarbonyl moiety modeled in the density

Released:
DOI: 10.2210/pdb5wg8/pdb
PDB entry 5wg8 coloured by chain, front view.
PDB entry 5wg8 coloured by chain, side view.
PDB entry 5wg8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The Antitumor Drug LB-100 Is a Catalytic Inhibitor of Protein Phosphatase 2A (PPP2CA) and 5 (PPP5C) Coordinating with the Active-Site Catalytic Metals in PPP5C.
D'Arcy BM, Swingle MR, Papke CM, Abney KA, Bouska ES, Prakash A, Honkanen RE
Mol Cancer Ther 18 556-566 (2019)
PMID: 30679389

Function and Biology Details

Reaction catalysed: 
[a protein]-serine/threonine phosphate + H(2)O = [a protein]-serine/threonine + phosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156702 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein phosphatase 5 Chain: A
Molecule details ›
Chain: A
Length: 333 amino acids
Theoretical weight: 37.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P53041 (Residues: 169-499; Coverage: 66%)
Gene names: PPP5, PPP5C
Sequence domains:
Structure domains: Purple Acid Phosphatase; chain A, domain 2

Ligands and Environments

4 bound ligands:
Ligand MN 2 x MN
Ligand LB1 1 x LB1
Ligand MPD 1 x MPD
Ligand MRD 1 x MRD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER IMUS MICROFOCUS
Spacegroup: P212121
Unit cell:
a: 40.656Å b: 91.15Å c: 95.494Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.159 0.196
Expression system: Escherichia coli

Quick links

Citations

11 review citations

Turn and Face the Strange: A New View on Phosphatases.
Köhn M. (2020)
10 more

4 mentions without citation

Targeting PP2A for cancer therapeutic modulation.
Ronk et al. (2022)
3 more