› 7akf

X-ray diffraction
2.6Å resolution

Structure of DYRK2 in complex with compound 50

Released:
DOI: 10.2210/pdb7akf/pdb
PDB entry 7akf coloured by chain, front view.
PDB entry 7akf coloured by chain, side view.
PDB entry 7akf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
Weber C, Sipos M, Paczal A, Balint B, Kun V, Foloppe N, Dokurno P, Massey AJ, Walmsley DL, Hubbard RE, Murray J, Benwell K, Edmonds T, Demarles D, Bruno A, Burbridge M, Cruzalegui F, Kotschy A
J Med Chem 64 6745-6764 (2021)
PMID: 33975430

Function and Biology Details

Reaction catalysed: 
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-187711 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity tyrosine-phosphorylation-regulated kinase 2 Chain: A
Molecule details ›
Chain: A
Length: 429 amino acids
Theoretical weight: 49.6 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q92630 (Residues: 146-552; Coverage: 68%)
Gene name: DYRK2
Sequence domains: Protein kinase domain

Ligands and Environments

2 bound ligands:
Ligand RK5 1 x RK5
Ligand CL 1 x CL
2 modified residues:
Ligand SEP 2 x SEP
Ligand PTR 1 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P42212
Unit cell:
a: 84.408Å b: 84.408Å c: 148.562Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.188 0.259
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

The chromosome 21 kinase DYRK1A: emerging roles in cancer biology and potential as a therapeutic target.
Rammohan et al. (2022)
3 more