› 7p1l

X-ray diffraction
1.95Å resolution

The MARK3 Kinase Domain Bound To AA-CS-1-008

Released:
DOI: 10.2210/pdb7p1l/pdb
PDB entry 7p1l coloured by chain, front view.
PDB entry 7p1l coloured by chain, side view.
PDB entry 7p1l coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of Pyrimidine-Based Lead Compounds for Understudied Kinases Implicated in Driving Neurodegeneration.
Drewry DH, Annor-Gyamfi JK, Wells CI, Pickett JE, Dederer V, Preuss F, Mathea S, Axtman AD
OpenAccess logo J Med Chem 65 1313-1328 (2022)
PMID: 34333981

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-151007 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
MAP/microtubule affinity-regulating kinase 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 326 amino acids
Theoretical weight: 37.7 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P27448 (Residues: 48-366; Coverage: 42%)
Gene names: CTAK1, EMK2, MARK3
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand V5E 2 x V5E
Ligand EDO 3 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21
Unit cell:
a: 50.989Å b: 95.733Å c: 68.579Å
α: 90° β: 91.982° γ: 90°
R-values:
R R work R free
0.211 0.21 0.242
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Multitargeting the Action of 5-HT6 Serotonin Receptor Ligands by Additional Modulation of Kinases in the Search for a New Therapy for Alzheimer's Disease: Can It Work from a Molecular Point of View?
Czarnota-Łydka et al. (2022)
8 other articles

1 mention without citation

Identification of Pyrimidine-Based Lead Compounds for Understudied Kinases Implicated in Driving Neurodegeneration.
Drewry et al. (2022)