› 5kz7

X-ray diffraction
3.2Å resolution

Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one

Released:
DOI: 10.2210/pdb5kz7/pdb
PDB entry 5kz7 coloured by chain, front view.
PDB entry 5kz7 coloured by chain, side view.
PDB entry 5kz7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Katz JD, Haidle A, Childers KK, Zabierek AA, Jewell JP, Hou Y, Altman MD, Szewczak A, Chen D, Harsch A, Hayashi M, Warren L, Hutton M, Nuthall H, Su HP, Munshi S, Stanton MG, Davies IW, Munoz B, Northrup A
Bioorg Med Chem Lett 27 114-120 (2017)
PMID: 27816515

Function and Biology Details

Reactions catalysed: 
ATP + a protein = ADP + a phosphoprotein
ATP + [tau protein] = ADP + [tau protein] phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181618 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase MARK2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 346 amino acids
Theoretical weight: 40.06 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q7KZI7 (Residues: 39-364; Coverage: 41%)
Gene names: EMK1, MARK2
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand 6Z2 2 x 6Z2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P61
Unit cell:
a: 119.35Å b: 119.35Å c: 98.738Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.226 0.222 0.293
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Tau-based therapies in neurodegeneration: opportunities and challenges.
Li et al. (2017)
1 more

1 mention without citation

Molecular dynamics simulations of the conformational plasticity in the active pocket of salt-inducible kinase 2 (SIK2) multi-state binding with bosutinib.
Shi et al. (2022)