› 3e7a

X-ray diffraction
1.63Å resolution

Crystal Structure of Protein Phosphatase-1 Bound to the natural toxin Nodularin-R

Released:
DOI: 10.2210/pdb3e7a/pdb
PDB entry 3e7a coloured by chain, front view.
PDB entry 3e7a coloured by chain, side view.
PDB entry 3e7a coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structures of protein phosphatase-1 bound to nodularin-R and tautomycin: a novel scaffold for structure-based drug design of serine/threonine phosphatase inhibitors.
Kelker MS, Page R, Peti W
J Mol Biol 385 11-21 (2009)
PMID: 18992256

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158548 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine/threonine-protein phosphatase PP1-alpha catalytic subunit Chains: A, B
Molecule details ›
Chains: A, B
Length: 299 amino acids
Theoretical weight: 34.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P62136 (Residues: 7-300; Coverage: 89%)
Gene names: PPP1A, PPP1CA
Sequence domains:
Structure domains: Purple Acid Phosphatase; chain A, domain 2
nodularin R Chains: C, D
Molecule details ›
Chains: C, D
Length: 5 amino acids
Theoretical weight: 844 Da
Source organism: Nodularia spumigena
Expression system: Not provided

Ligands and Environments

5 bound ligands:
Ligand MN 4 x MN
Ligand IOD 14 x IOD
Ligand CL 4 x CL
Ligand GOL 2 x GOL
Ligand AZI 2 x AZI
3 modified residues:
Ligand ACB 2 x ACB
Ligand FGA 2 x FGA
Ligand MDH 2 x MDH

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X6A
Spacegroup: P212121
Unit cell:
a: 65.354Å b: 77.274Å c: 132.444Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.144 0.143 0.169
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

16 review citations

The extended PP1 toolkit: designed to create specificity.
Bollen et al. (2010)
15 more

19 mentions without citation

Structural basis for protein phosphatase 1 regulation and specificity.
Peti et al. (2013)
18 more