› 3a2c

X-ray diffraction
2.9Å resolution

Crystal structure of a pyrazolopyrimidine inhibitor complex bound to MAPKAP Kinase-2 (MK2)

Released:
DOI: 10.2210/pdb3a2c/pdb
PDB entry 3a2c coloured by chain, front view.
PDB entry 3a2c coloured by chain, side view.
PDB entry 3a2c coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural analysis of an MK2-inhibitor complex: insight into the regulation of the secondary structure of the Gly-rich loop by TEI-I01800.
Fujino A, Fukushima K, Namiki N, Kosugi T, Takimoto-Kamimura M
Acta Crystallogr D Biol Crystallogr 66 80-7 (2010)
PMID: 20057052

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:
homo dodecamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155867 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
MAP kinase-activated protein kinase 2 Chains: A, B, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 324 amino acids
Theoretical weight: 37.52 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P49137 (Residues: 41-364; Coverage: 81%)
Gene name: MAPKAPK2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand PDY 24 x PDY
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL32B2
Spacegroup: P212121
Unit cell:
a: 139.157Å b: 180.956Å c: 216.096Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.288 0.288 0.335
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 citation in other articles

Novel approaches for targeting kinases: allosteric inhibition, allosteric activation and pseudokinases.
Cowan-Jacob et al. (2014)
1 more

4 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)
3 more