› 1ke5

X-ray diffraction
2.2Å resolution

CDK2 complexed with N-methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide

Released:
DOI: 10.2210/pdb1ke5/pdb
PDB entry 1ke5 coloured by chain, front view.
PDB entry 1ke5 coloured by chain, side view.
PDB entry 1ke5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
Bramson HN, Corona J, Davis ST, Dickerson SH, Edelstein M, Frye SV, Gampe RT, Harris PA, Hassell A, Holmes WD, Hunter RN, Lackey KE, Lovejoy B, Luzzio MJ, Montana V, Rocque WJ, Rusnak D, Shewchuk L, Veal JM, Walker DH, Kuyper LF
J Med Chem 44 4339-58 (2001)
PMID: 11728181

Function and Biology Details

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

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: Spodoptera frugiperda
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 LS1 1 x LS1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P212121
Unit cell:
a: 72.39Å b: 73.96Å c: 54.06Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.184 0.224
Expression system: Spodoptera frugiperda

Quick links

Citations

13 review citations

The cell cycle: a review of regulation, deregulation and therapeutic targets in cancer.
Vermeulen et al. (2003)
12 more

13 mentions without citation

The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins.
Kozakov et al. (2015)
12 more