› 7oy6

X-ray diffraction
2.38Å resolution

Crystal structure of human DYRK1A in complex with ARN25068

Released:
DOI: 10.2210/pdb7oy6/pdb
PDB entry 7oy6 coloured by chain, front view.
PDB entry 7oy6 coloured by chain, side view.
PDB entry 7oy6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
ARN25068, a versatile starting point towards triple GSK-3β/FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Demuro S, Sauvey C, Tripathi SK, Di Martino RMC, Shi D, Ortega JA, Russo D, Balboni B, Giabbai B, Storici P, Girotto S, Abagyan R, Cavalli A
Eur J Med Chem 229 114054 (2022)
PMID: 34959172

Function and Biology Details

Reactions catalysed: 
ATP + [DNA-directed RNA polymerase] = ADP + [DNA-directed RNA polymerase] phosphate
ATP + L-seryl/L-threonyl/L-tyrosyl-[protein] = ADP + O-phospho-L-seryl/O-phospho-L-threonyl/O-phospho-L-tyrosyl-[protein]
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171789 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Chain: C
Molecule details ›
Chain: C
Length: 359 amino acids
Theoretical weight: 41.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q13627 (Residues: 127-485; Coverage: 47%)
Gene names: DYRK, DYRK1A, MNB, MNBH
Sequence domains: Protein kinase domain

Ligands and Environments

1 bound ligand:
Ligand 39I 1 x 39I
1 modified residue:
Ligand PTR 1 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 11.2C
Spacegroup: P42
Unit cell:
a: 93.65Å b: 93.65Å c: 48.96Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.202 0.198 0.27
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

Computational Studies to Understand the Neuroprotective Mechanism of Action Basil Compounds.
Singh et al. (2023)
1 more

1 mention without citation

ARN25068, a versatile starting point towards triple GSK-3β/FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Demuro et al. (2022)