› 3ka0

X-ray diffraction
2.9Å resolution

MK2 complex with inhibitor 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide

Released:
DOI: 10.2210/pdb3ka0/pdb
PDB entry 3ka0 coloured by chain, front view.
PDB entry 3ka0 coloured by chain, side view.
PDB entry 3ka0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Argiriadi MA, Ericsson AM, Harris CM, Banach DL, Borhani DW, Calderwood DJ, Demers MD, Dimauro J, Dixon RW, Hardman J, Kwak S, Li B, Mankovich JA, Marcotte D, Mullen KD, Ni B, Pietras M, Sadhukhan R, Sousa S, Tomlinson MJ, Wang L, Xiang T, Talanian RV
Bioorg Med Chem Lett 20 330-3 (2010)
PMID: 19919896

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: A
Molecule details ›
Chain: A
Length: 320 amino acids
Theoretical weight: 36.99 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P49137 (Residues: 47-366; Coverage: 80%)
Gene name: MAPKAPK2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand MK3 1 x MK3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Spacegroup: F4132
Unit cell:
a: 253.508Å b: 253.508Å c: 253.508Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.232 0.23 0.265
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Inhibition of the protein kinase MK-2 protects podocytes from nephrotic syndrome-related injury.
Pengal et al. (2011)
4 more

5 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)
4 more