› 5oo0

X-ray diffraction
1.6Å resolution

Cdk2(WT) covalent adduct with D28 at C177

Released:
DOI: 10.2210/pdb5oo0/pdb
PDB entry 5oo0 coloured by chain, front view.
PDB entry 5oo0 coloured by chain, side view.
PDB entry 5oo0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Craven GB, Affron DP, Allen CE, Matthies S, Greener JG, Morgan RML, Tate EW, Armstrong A, Mann DJ
Angew Chem Int Ed Engl 57 5257-5261 (2018)
PMID: 29480525

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: 34.39 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 9YZ 1 x 9YZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 53.513Å b: 71.024Å c: 72.152Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.172 0.2
Expression system: Escherichia coli

Quick links

Citations

5 review citations

The design and development of covalent protein-protein interaction inhibitors for cancer treatment.
Cheng et al. (2020)
4 more

3 mentions without citation

High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Craven et al. (2018)
2 more