› 3wi6

X-ray diffraction
2.99Å resolution

Crystal structure of MAPKAP Kinase-2 (MK2) in complex with non-selective inhibitor

Released:
DOI: 10.2210/pdb3wi6/pdb
PDB entry 3wi6 coloured by chain, front view.
PDB entry 3wi6 coloured by chain, side view.
PDB entry 3wi6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure of the β-form of human MK2 in complex with the non-selective kinase inhibitor TEI-L03090.
Fujino A, Fukushima K, Kubota T, Matsumoto Y, Takimoto-Kamimura M
Acta Crystallogr Sect F Struct Biol Cryst Commun 69 1344-8 (2013)
PMID: 24316826

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
Molecule details ›
Chains: A, B, C, D, E, F
Length: 324 amino acids
Theoretical weight: 37.52 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P49137 (Residues: 41-364; Coverage: 81%)
Gene name: MAPKAPK2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand YRZ 6 x YRZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL41XU
Spacegroup: I212121
Unit cell:
a: 180.061Å b: 179.684Å c: 254.101Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.242 0.24 0.283
Expression system: Escherichia coli

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Citations

7 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)
6 more