› 4d1z

X-ray diffraction
1.85Å resolution

CDK2 in complex with a Luciferin derivate

Released:
DOI: 10.2210/pdb4d1z/pdb
PDB entry 4d1z coloured by chain, front view.
PDB entry 4d1z coloured by chain, side view.
PDB entry 4d1z coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Luciferin and derivatives as a DYRK selective scaffold for the design of protein kinase inhibitors.
Rothweiler U, Eriksson J, Stensen W, Leeson F, Engh RA, Svendsen JS
Eur J Med Chem 94 140-8 (2015)
PMID: 25768698

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150313 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclin-dependent kinase 2 Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 33.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P24941 (Residues: 1-298; Coverage: 100%)
Gene names: CDK2, CDKN2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand WG8 2 x WG8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P212121
Unit cell:
a: 53.83Å b: 72.4Å c: 73.06Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.193 0.225
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) inhibitors: a survey of recent patent literature.
Nguyen et al. (2017)
3 more

1 mention without citation

Detection of secondary binding sites in proteins using fragment screening.
Ludlow et al. (2015)