› 6t6a

X-ray diffraction
2.8Å resolution

Crystal structure of DYRK1A complexed with KuFal319 (compound 11)

Released:
DOI: 10.2210/pdb6t6a/pdb
PDB entry 6t6a coloured by chain, front view.
PDB entry 6t6a coloured by chain, side view.
PDB entry 6t6a coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
[b]-Annulated Halogen-Substituted Indoles as Potential DYRK1A Inhibitors.
Lechner C, Flaßhoff M, Falke H, Preu L, Loaëc N, Meijer L, Knapp S, Chaikuad A, Kunick C
Molecules 24 (2019)
PMID: 31766108

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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 361 amino acids
Theoretical weight: 42.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q13627 (Residues: 127-485; Coverage: 47%)
Gene names: DYRK, DYRK1A, MNB, MNBH
Sequence domains: Protein kinase domain

Ligands and Environments

3 bound ligands:
Ligand PG4 5 x PG4
Ligand SO4 13 x SO4
Ligand MLW 3 x MLW
1 modified residue:
Ligand PTR 4 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 244.882Å b: 65.395Å c: 148.055Å
α: 90° β: 115.18° γ: 90°
R-values:
R R work R free
0.207 0.205 0.242
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

GSK-3β, FYN, and DYRK1A: Master Regulators in Neurodegenerative Pathways.
Demuro et al. (2021)
1 more

2 mentions without citation

Dual-Specificity, Tyrosine Phosphorylation-Regulated Kinases (DYRKs) and cdc2-Like Kinases (CLKs) in Human Disease, an Overview.
Lindberg et al. (2021)
1 more