› 2pzy

X-ray diffraction
2.9Å resolution

Structure of MK2 Complexed with Compound 76

Released:
DOI: 10.2210/pdb2pzy/pdb
PDB entry 2pzy coloured by chain, front view.
PDB entry 2pzy coloured by chain, side view.
PDB entry 2pzy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The discovery of carboline analogs as potent MAPKAP-K2 inhibitors.
Wu JP, Wang J, Abeywardane A, Andersen D, Emmanuel M, Gautschi E, Goldberg DR, Kashem MA, Lukas S, Mao W, Martin L, Morwick T, Moss N, Pargellis C, Patel UR, Patnaude L, Peet GW, Skow D, Snow RJ, Ward Y, Werneburg B, White A
Bioorg Med Chem Lett 17 4664-9 (2007)
PMID: 17576063

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

Assemblies composition:
monomeric
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
Molecule details ›
Chains: A, B, C, D
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 B18 2 x B18
Ligand STU 1 x STU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P63
Unit cell:
a: 159.61Å b: 159.61Å c: 134.5Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.251 0.251 0.313
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Targeting innate immunity protein kinase signalling in inflammation.
Gaestel et al. (2009)
3 more

3 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)
2 more