› 6ylk

X-ray diffraction
1.65Å resolution

Cdk2(F80C) with Covalent Adduct TK22 at F80C

Released:
DOI: 10.2210/pdb6ylk/pdb
PDB 6ylk coloured by chain and viewed from the front.
PDB 6ylk coloured by chain and viewed from the side.
PDB 6ylk coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Multiparameter kinetic analysis for covalent fragment optimization using quantitative irreversible tethering (qIT).
Craven GB, Affron DP, Kösel T, Wong TLM, Jukes ZH, Liu CT, Morgan RML, Armstrong A, Mann DJ
Chembiochem (2020)
PMID: 32659037

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclin-dependent kinase 2 Chain: A
Molecule details ›
Chain: A
Length: 303 amino acids
Theoretical weight: 34.31 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

Ligands and Environments

1 bound ligand:
Ligand OY2 1 x OY2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 53.38Å b: 71.1Å c: 71.85Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.216 0.265
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Fragment-based covalent ligand discovery.
Lu et al. (2021)
2 other articles