› 6ylk

X-ray diffraction
1.65Å resolution

Cdk2(F80C) with Covalent Adduct TK22 at F80C

Released:
DOI: 10.2210/pdb6ylk/pdb
PDB entry 6ylk coloured by chain, front view.
PDB entry 6ylk coloured by chain, side view.
PDB entry 6ylk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Craven GB, Affron DP, Kösel T, Wong TLM, Jukes ZH, Liu CT, Morgan RML, Armstrong A, Mann DJ
Chembiochem 21 3417-3422 (2020)
PMID: 32659037

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: 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

2 review citations

Fragment-based covalent ligand discovery.
Lu et al. (2021)
1 more