› 5eak

X-ray diffraction
2.8Å resolution

Optimization of Microtubule Affinity Regulating Kinase (MARK) Inhibitors with Improved Physical Properties

Released:
DOI: 10.2210/pdb5eak/pdb
PDB entry 5eak coloured by chain, front view.
PDB entry 5eak coloured by chain, side view.
PDB entry 5eak coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimization of microtubule affinity regulating kinase (MARK) inhibitors with improved physical properties.
Sloman DL, Noucti N, Altman MD, Chen D, Mislak AC, Szewczak A, Hayashi M, Warren L, Dellovade T, Wu Z, Marcus J, Walker D, Su HP, Edavettal SC, Munshi S, Hutton M, Nuthall H, Stanton MG
Bioorg Med Chem Lett 26 4362-6 (2016)
PMID: 27491711

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: 328 amino acids
Theoretical weight: 37.83 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q7KZI7 (Residues: 39-364; Coverage: 41%)
Gene names: EMK1, MARK2
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand 24R 2 x 24R
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P61
Unit cell:
a: 118.739Å b: 118.739Å c: 106.592Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.198 0.195 0.254
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Microtubule affinity-regulating kinases are potential druggable targets for Alzheimer's disease.
Annadurai et al. (2017)
2 other articles

3 mentions without citation

Computational and Experimental Assessments of Magnolol as a Neuroprotective Agent and Utilization of UiO-66(Zr) as Its Drug Delivery System.
Santos et al. (2021)
2 more