› 2p3g

X-ray diffraction
3.8Å resolution

Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2

Released:
DOI: 10.2210/pdb2p3g/pdb
PDB entry 2p3g coloured by chain, front view.
PDB entry 2p3g coloured by chain, side view.
PDB entry 2p3g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2).
Anderson DR, Meyers MJ, Vernier WF, Mahoney MW, Kurumbail RG, Caspers N, Poda GI, Schindler JF, Reitz DB, Mourey RJ
J Med Chem 50 2647-54 (2007)
PMID: 17480064

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155865 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
MAP kinase-activated protein kinase 2 Chain: X
Molecule details ›
Chain: X
Length: 327 amino acids
Theoretical weight: 37.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P49137 (Residues: 45-371; Coverage: 82%)
Gene name: MAPKAPK2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand F10 1 x F10
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: F4132
Unit cell:
a: 253.941Å b: 253.941Å c: 253.941Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.303 0.3 0.374
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

15 review citations

Heat shock protein 27 phosphorylation: kinases, phosphatases, functions and pathology.
Kostenko et al. (2009)
14 more

9 mentions without citation

Targeting Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MAPKAPK2, MK2): Medicinal Chemistry Efforts To Lead Small Molecule Inhibitors to Clinical Trials.
Fiore et al. (2016)
8 more