› 3h64

X-ray diffraction
1.9Å resolution

Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with endothall

Released:
DOI: 10.2210/pdb3h64/pdb
PDB entry 3h64 coloured by chain, front view.
PDB entry 3h64 coloured by chain, side view.
PDB entry 3h64 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin.
Bertini I, Calderone V, Fragai M, Luchinat C, Talluri E
J Med Chem 52 4838-43 (2009)
PMID: 19601647

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 Chains: A, D
Molecule details ›
Chains: A, D
Length: 315 amino acids
Theoretical weight: 35.95 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P53041 (Residues: 176-490; Coverage: 63%)
Gene names: PPP5, PPP5C
Sequence domains:
Structure domains: Purple Acid Phosphatase; chain A, domain 2

Ligands and Environments

2 bound ligands:
Ligand MN 4 x MN
Ligand ENL 2 x ENL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: C2
Unit cell:
a: 154.553Å b: 41.463Å c: 95.614Å
α: 90° β: 96.78° γ: 90°
R-values:
R R work R free
0.195 0.19 0.237
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Terpenoids: natural products for cancer therapy.
Huang et al. (2012)
6 more

2 mentions without citation

Three-dimensional quantitative structure-activity relationship studies on UGT1A9-mediated 3-O-glucuronidation of natural flavonols using a pharmacophore-based comparative molecular field analysis model.
Wu et al. (2011)
1 more